Cas no 215610-27-8 (1H-Pyrazole-3-carboxamide, N,N-diethyl-)
215610-27-8 structure
Product Name:1H-Pyrazole-3-carboxamide, N,N-diethyl-
CAS No:215610-27-8
MF:C8H13N3O
MW:167.208321332932
CID:1408611
PubChem ID:5128709
Update Time:2025-04-20
1H-Pyrazole-3-carboxamide, N,N-diethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxamide, N,N-diethyl-
- N,N-diethyl pyrazole-3-carboxamide
- N,N-diethyl-1H-pyrazole-3-carboxamide
- DB-326857
- 215610-27-8
- SCHEMBL5285523
- AKOS003653039
- STK966886
- N,N-diethyl-1H-pyrazole-5-carboxamide
-
- Inchi： 1S/C8H13N3O/c1-3-11(4-2)8(12)7-5-6-9-10-7/h5-6H,3-4H2,1-2H3,(H,9,10)
- InChI Key： UIOHTQSUZMXGHO-UHFFFAOYSA-N
- SMILES： O=C(C1=CC=NN1)N(CC)CC
Computed Properties
- Exact Mass: 167.10599
- Monoisotopic Mass: 167.105862047g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 156
- 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: 0.7
- Topological Polar Surface Area: 49?2
Experimental Properties
- PSA: 48.99
1H-Pyrazole-3-carboxamide, N,N-diethyl- Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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