N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide

C13H18F3N3O — CID 175595277

IUPACN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)CN(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1
InChIInChI=1S/C13H18F3N3O/c1-7(2)6-19(8-4-5-8)13(20)9-10(11(14)15)17-18(3)12(9)16/h7-8,11H,4-6H2,1-3H3
InChIKeyNMEAYPFYWKFXPF-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.76
Rot. Bonds5

About N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide

N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 175595277) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID175595277
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCC(C)CN(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1
InChIInChI=1S/C13H18F3N3O/c1-7(2)6-19(8-4-5-8)13(20)9-10(11(14)15)17-18(3)12(9)16/h7-8,11H,4-6H2,1-3H3
InChIKeyNMEAYPFYWKFXPF-UHFFFAOYSA-N
XLogP2.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide (CID 175595277) is N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide is CC(C)CN(C(=O)c1c(C(F)F)nn(C)c1F)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is NMEAYPFYWKFXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-7(2)6-19(8-4-5-8)13(20)9-10(11(14)15)17-18(3)12(9)16/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide?
N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(difluoromethyl)-5-fluoro-1-methyl-N-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 175595277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).