2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide

C18H19F2N3O — CID 167793055

IUPAC2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C3CC3(F)F)c2)n(C2CCC2)n1
InChIInChI=1S/C18H19F2N3O/c1-11-8-16(23(22-11)14-6-3-7-14)17(24)21-13-5-2-4-12(9-13)15-10-18(15,19)20/h2,4-5,8-9,14-15H,3,6-7,10H2,1H3,(H,21,24)
InChIKeyLJWZCWUIIIXMGF-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.29
Rot. Bonds4

About 2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide

2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 167793055) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID167793055
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C3CC3(F)F)c2)n(C2CCC2)n1
InChIInChI=1S/C18H19F2N3O/c1-11-8-16(23(22-11)14-6-3-7-14)17(24)21-13-5-2-4-12(9-13)15-10-18(15,19)20/h2,4-5,8-9,14-15H,3,6-7,10H2,1H3,(H,21,24)
InChIKeyLJWZCWUIIIXMGF-UHFFFAOYSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268
N-(2-cyclopentyl-5-methylpyrazol-3-yl)-2-fluorobenzamide
CID 39853458
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
N-[3-[(cyclobutylamino)-phenylmethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide
CID 159798132
N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide
CID 139821332
N-[3-(chloromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114293272
2,5-dimethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 16953136
N-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
CID 167933715
1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole
CID 170214162
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[3-[3-methoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]phenyl]cyclobutanecarboxamide
CID 46134239
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide (CID 167793055) is 2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(C3CC3(F)F)c2)n(C2CCC2)n1.
What is the InChIKey of 2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is LJWZCWUIIIXMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-11-8-16(23(22-11)14-6-3-7-14)17(24)21-13-5-2-4-12(9-13)15-10-18(15,19)20/h2,4-5,8-9,14-15H,3,6-7,10H2,1H3,(H,21,24).
What are the key properties of 2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide?
2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 167793055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).