N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide

C9H10F3N3O — CID 154002784

IUPACN-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1c(F)n[nH]c1C(F)F)C1CC1
InChIInChI=1S/C9H10F3N3O/c1-15(4-2-3-4)9(16)5-6(7(10)11)13-14-8(5)12/h4,7H,2-3H2,1H3,(H,13,14)
InChIKeyFAWIOYZMZFCGQM-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.72
Rot. Bonds3

About N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide

N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 154002784) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID154002784
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC NameN-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1c(F)n[nH]c1C(F)F)C1CC1
InChIInChI=1S/C9H10F3N3O/c1-15(4-2-3-4)9(16)5-6(7(10)11)13-14-8(5)12/h4,7H,2-3H2,1H3,(H,13,14)
InChIKeyFAWIOYZMZFCGQM-UHFFFAOYSA-N
XLogP1.72
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-difluoropyrrolidin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 132291935
N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
CID 70980386
5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide
CID 90102521
3-fluoro-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 131986822
N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 141443116
5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 144770900
N,N-dicyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
CID 149993099
N-cyclopropyl-5-(difluoromethyl)-3-fluoro-1H-pyrazole-4-carboxamide
CID 151547829
N-cyclopropyl-3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 153981152
N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 175360879
N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 175595277
3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide
CID 176912979

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide (CID 154002784) is N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide is CN(C(=O)c1c(F)n[nH]c1C(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is FAWIOYZMZFCGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-15(4-2-3-4)9(16)5-6(7(10)11)13-14-8(5)12/h4,7H,2-3H2,1H3,(H,13,14).
What are the key properties of N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide?
N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 233.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(difluoromethyl)-3-fluoro-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154002784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).