Cas no 866837-96-9 (Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate)

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate structure

866837-96-9 structure

Product Name:Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate

CAS No:866837-96-9

MF:C₁₂H₁₃N₃O₂

MW:231.250522375107

MDL:MFCD07388406

CID:69106

PubChem ID:23630921

Update Time:2024-10-26

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

- Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate
- ethyl 5-amino-1-phenylpyrazole-3-carboxylate
- 5-Amino-1-phenyl-1H-pyrazole-3-carboxylic acid ethyl ester
- ETHYL 5-AMINO-1-PHENYL-1HPYRAZOLE-3-CARBOXYLATE
- PubChem18410
- 1H-Pyrazole-3-carboxylic acid, 5-amino-1-phenyl-, ethyl ester
- 5-Amino-1-phenyl-1H-pyrazole-3-carboxylicacidethylester
- HID1133
- SRDSLLHGDLOTGF-UHFFFAOYSA-N
- BCP04507
- VP20150
- S916
- ST2
- 866837-96-9
- AKOS005146013
- DTXSID60635256
- SCHEMBL2835335
- Ethyl5-amino-1-phenyl-1H-pyrazole-3-carboxylate
- DS-11770
- MFCD07388406
- AC-2265
- CS-0001920
- MDL： MFCD07388406
- Inchi： 1S/C12H13N3O2/c1-2-17-12(16)10-8-11(13)15(14-10)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3
- InChI Key： SRDSLLHGDLOTGF-UHFFFAOYSA-N
- SMILES： O=C(C1C=C(N)N(C2C=CC=CC=2)N=1)OCC

Computed Properties

Exact Mass: 231.10100
Monoisotopic Mass: 231.101
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 17
Rotatable Bond Count: 4
Complexity: 267
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.1
Topological Polar Surface Area: 70.1

Experimental Properties

Color/Form: No data avaiable
Density: 1.3±0.1 g/cm3
Melting Point: No data available
Boiling Point: 413°C at 760 mmHg
Flash Point: 203.6±23.2 °C
Refractive Index: 1.609
PSA: 70.14000
LogP: 2.21240
Vapor Pressure: No data available

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Security Information

Signal Word：warning
Hazard Statement： H315-H319-H335
Warning Statement： P264+P280+P305+P351+P338+P337+P313
Safety Instruction： H303+H313+H333
Storage Condition：Keep in dark place,Inert atmosphere,2-8°C

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Customs Data

HS CODE：2933199090
Customs Data：

China Customs Code:
2933199090

Overview:

2933199090. Other structurally non fused pyrazole ring compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

Declaration elements:

Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

Summary:

2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Pricemore >>

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Alichem	A049000366-5g	5-Amino-1-phenyl-1h-pyrazole-3-carboxylic acid ethyl ester	866837-96-9	97%	5g	$293.11	2023-08-31
Alichem	A049000366-10g	5-Amino-1-phenyl-1h-pyrazole-3-carboxylic acid ethyl ester	866837-96-9	97%	10g	$468.35	2023-08-31
Alichem	A049000366-25g	5-Amino-1-phenyl-1h-pyrazole-3-carboxylic acid ethyl ester	866837-96-9	97%	25g	$878.45	2023-08-31
TRC	B433948-50mg	Ethyl 5-Amino-1-phenyl-1H-pyrazole-3-carboxylate	866837-96-9		50mg	$ 50.00	2022-06-07
TRC	B433948-100mg	Ethyl 5-Amino-1-phenyl-1H-pyrazole-3-carboxylate	866837-96-9		100mg	$ 65.00	2022-06-07
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Chemenu	CM188555-250mg	Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate	866837-96-9	95+%	250mg	$51	2021-08-05
Chemenu	CM188555-1g	Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate	866837-96-9	95+%	1g	$138	2021-08-05
Chemenu	CM188555-5g	Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate	866837-96-9	95+%	5g	$427	2021-08-05
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B-RE326-200mg	Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate	866837-96-9	97+%	200mg	196.0CNY	2021-07-13

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Production Method

Production Method 1

92664-05-6

866837-96-9

Reaction Conditions

1.1 Solvents: Ethanol ; reflux

Reference

Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors

Bagal, Sharan K. ; et al, Journal of Medicinal Chemistry, 2019, 62(1), 247-265

Production Method 2

92664-05-6

866837-96-9

Reaction Conditions

1.1 Reagents: Sulfuric acid Solvents: Water ; 0 °C
1.2 Solvents: Ethanol ; 5 h, reflux
1.3 Reagents: Triethylamine ; 30 min, rt

Reference

Synthetic studies of five-membered heteroaromatic derivatives as potassium-competitive acid blockers (P-CABs)

Arikawa, Yasuyoshi; et al, Bioorganic & Medicinal Chemistry Letters, 2015, 25(10), 2037-2040

Production Method 3

92664-05-6

866837-96-9

Reaction Conditions

1.1 Reagents: Hydrochloric acid Solvents: Ethanol , Water ; rt; 6 h, reflux; reflux → rt

Reference

Synthesis, cannabinoid receptor affinity, and molecular modeling studies of substituted 1-aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides

Silvestri, Romano; et al, Journal of Medicinal Chemistry, 2008, 51(6), 1560-1576

Production Method 4

866837-96-9

Reaction Conditions

1.1 Reagents: Potassium ethoxide Solvents: Diethyl ether , Ethanol , Acetonitrile ; 0 °C → rt
2.1 Solvents: Ethanol ; reflux

Reference

Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors

Bagal, Sharan K. ; et al, Journal of Medicinal Chemistry, 2019, 62(1), 247-265

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Raw materials

Potassium 1-cyano-3-ethoxy-2,3-dioxopropan-1-ide

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Preparation Products

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate (866837-96-9)

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Cas no 866837-96-9 (Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate)

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

Computed Properties

Experimental Properties

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Security Information

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Customs Data

China Customs Code:

Overview:

Declaration elements:

Summary:

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Pricemore >>

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Production Method

Production Method 1

Production Method 2

Production Method 3

Production Method 4

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Raw materials

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Preparation Products

Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate Related Literature

Related Categories

866837-96-9 (Ethyl 5-amino-1-phenyl-1H-pyrazole-3-carboxylate) Related Products