1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide

C15H14FN5O — CID 154789264

IUPAC1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nc2ccc(F)cc2[nH]1)c1cnn(C2CCC2)c1
InChIInChI=1S/C15H14FN5O/c16-10-4-5-12-13(6-10)19-15(18-12)20-14(22)9-7-17-21(8-9)11-2-1-3-11/h4-8,11H,1-3H2,(H2,18,19,20,22)
InChIKeyYFXYANUUEDSKIB-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.88
Rot. Bonds3

About 1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide

1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide (PubChem CID 154789264) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide
PubChem CID154789264
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nc2ccc(F)cc2[nH]1)c1cnn(C2CCC2)c1
InChIInChI=1S/C15H14FN5O/c16-10-4-5-12-13(6-10)19-15(18-12)20-14(22)9-7-17-21(8-9)11-2-1-3-11/h4-8,11H,1-3H2,(H2,18,19,20,22)
InChIKeyYFXYANUUEDSKIB-UHFFFAOYSA-N
XLogP2.88
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-[(6-fluoro-1H-benzimidazol-2-yl)amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 122691314
1-cyclopentyl-N-(1H-indol-3-yl)pyrazole-4-carboxamide
CID 154652767
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103295091
6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine
CID 103295064
1-cyclopentyl-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide
CID 166409137
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrazole-4-carboxamide
CID 118117740
N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide
CID 103295026
1-(1-cyclobutylpyrazol-4-yl)-2-methylpropan-1-one
CID 83878117
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103295107
1-cyclobutyl-N-[5-methyl-4-(3-methylphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
CID 138020489
1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 84614259
5-cyclopropyl-N-(6-fluoro-1H-benzimidazol-2-yl)thiophene-2-sulfonamide
CID 155969203

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide (CID 154789264) is 1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide is O=C(Nc1nc2ccc(F)cc2[nH]1)c1cnn(C2CCC2)c1.
What is the InChIKey of 1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is YFXYANUUEDSKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c16-10-4-5-12-13(6-10)19-15(18-12)20-14(22)9-7-17-21(8-9)11-2-1-3-11/h4-8,11H,1-3H2,(H2,18,19,20,22).
What are the key properties of 1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide?
1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 299.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(6-fluoro-1H-benzimidazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 154789264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).