N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide

C9H10F3N3O — CID 70980386

IUPACN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(=O)NC2CC2)c1F
InChIInChI=1S/C9H10F3N3O/c1-15-8(12)5(6(14-15)7(10)11)9(16)13-4-2-3-4/h4,7H,2-3H2,1H3,(H,13,16)
InChIKeyRPDXNEFSTLSRNP-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.39
Rot. Bonds3

About N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide

N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide (PubChem CID 70980386) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
PubChem CID70980386
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC NameN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
SMILESCn1nc(C(F)F)c(C(=O)NC2CC2)c1F
InChIInChI=1S/C9H10F3N3O/c1-15-8(12)5(6(14-15)7(10)11)9(16)13-4-2-3-4/h4,7H,2-3H2,1H3,(H,13,16)
InChIKeyRPDXNEFSTLSRNP-UHFFFAOYSA-N
XLogP1.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-allyl-5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 4329181
N-[3-[methyl(propan-2-yl)amino]propyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 53560643
5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 11298106
5-chloro-N-cyclopropyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 9115827
N-cyclopropyl-5-methyl-1-(1-methylpiperidin-3-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45502086
N-cyclopropyl-1-(1-isopropylpiperidin-3-yl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 45502128
N-(cyclopropylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 45869939
5-chloro-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 47137888
N-isobutyl-1-isopropyl-5-methyl-3-(trifluoromethyl
CID 49670283
N-isopentyl-1-isopropyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675662
N-cyclopentyl-1-isopropyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675665
N-ethyl-5-methyl-1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 49675759

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide (CID 70980386) is N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide is Cn1nc(C(F)F)c(C(=O)NC2CC2)c1F.
What is the InChIKey of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
The InChIKey is RPDXNEFSTLSRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-15-8(12)5(6(14-15)7(10)11)9(16)13-4-2-3-4/h4,7H,2-3H2,1H3,(H,13,16).
What are the key properties of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide?
N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide has a molecular weight of 233.19 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 70980386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).