5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide

C7H9F2N3O — CID 142786102

IUPAC5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide
SMILESCCNC(=O)c1cn[nH]c1C(F)F
InChIInChI=1S/C7H9F2N3O/c1-2-10-7(13)4-3-11-12-5(4)6(8)9/h3,6H,2H2,1H3,(H,10,13)(H,11,12)
InChIKeyCQEXQGQXPOXAOJ-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.10
Rot. Bonds3

About 5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide

5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide (PubChem CID 142786102) has the molecular formula C7H9F2N3O and a molecular weight of 189.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide
PubChem CID142786102
Molecular FormulaC7H9F2N3O
Molecular Weight189.16 g/mol
Exact Mass189.07
IUPAC Name5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide
SMILESCCNC(=O)c1cn[nH]c1C(F)F
InChIInChI=1S/C7H9F2N3O/c1-2-10-7(13)4-3-11-12-5(4)6(8)9/h3,6H,2H2,1H3,(H,10,13)(H,11,12)
InChIKeyCQEXQGQXPOXAOJ-UHFFFAOYSA-N
XLogP1.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1H-pyrazole-4-carbohydrazide
CID 50987772
1-tert-butyl-N-[3-[methyl(propan-2-yl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51090894
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643
N-(4-amino-4-oxobutyl)-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 56818095
5-(Trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 66781137
3-methyl-1-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 72843899
5-methyl-N-[3-(2-methylpropylsulfanyl)propyl]-1H-pyrazole-4-carboxamide
CID 75433102
N-[(2S)-3,3-dimethylbutan-2-yl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 97329619
N-[1-(difluoromethyl)cyclopropyl]-1,3-dimethylpyrazole-4-carboxamide
CID 126772516
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 126787976
N-(3-fluorocyclohexyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 126794183
[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 132289687

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide (CID 142786102) is 5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide is CCNC(=O)c1cn[nH]c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide?
The InChIKey is CQEXQGQXPOXAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-2-10-7(13)4-3-11-12-5(4)6(8)9/h3,6H,2H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide?
5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide has a molecular weight of 189.16 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 142786102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).