Cas no 28998-67-6 (1H-Pyrazole, 3-butyl-)
1H-Pyrazole, 3-butyl- structure
Product Name:1H-Pyrazole, 3-butyl-
CAS No:28998-67-6
MF:C7H12N2
MW:124.183581352234
CID:275090
PubChem ID:206968
Update Time:2025-04-19
1H-Pyrazole, 3-butyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 3-butyl-
- 5-butyl-1H-pyrazole
- 3-Butylpyrazole
- DTXSID40183189
- 28998-67-6
- 4-23-00-00640 (Beilstein Handbook Reference)
- BRN 0002076
- Pyrazole, 3-butyl-
- 3-Butyl-1H-pyrazole
- SCHEMBL2318840
- butylpyrazole
-
- Inchi： 1S/C7H12N2/c1-2-3-4-7-5-6-8-9-7/h5-6H,2-4H2,1H3,(H,8,9)
- InChI Key： GFJCGXFXOXSUJX-UHFFFAOYSA-N
- SMILES： N1C(=CC=N1)CCCC
Computed Properties
- Exact Mass: 124.10016
- Monoisotopic Mass: 124.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 73.3
- 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: 1.9
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- Density: 0.979
- Boiling Point: 238.1°Cat760mmHg
- Flash Point: 100.7°C
- Refractive Index: 1.504
- PSA: 28.68
1H-Pyrazole, 3-butyl- Related Literature
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
28998-67-6 (1H-Pyrazole, 3-butyl-) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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