2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide

C13H11F2N5O — CID 19506776

IUPAC2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
SMILESCn1c(NC(=O)c2ccnn2C(F)F)nc2ccccc21
InChIInChI=1S/C13H11F2N5O/c1-19-9-5-3-2-4-8(9)17-13(19)18-11(21)10-6-7-16-20(10)12(14)15/h2-7,12H,1H3,(H,17,18,21)
InChIKeyGGTMJGWUYODDHH-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.42
Rot. Bonds3

About 2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide

2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide (PubChem CID 19506776) has the molecular formula C13H11F2N5O and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
PubChem CID19506776
Molecular FormulaC13H11F2N5O
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
SMILESCn1c(NC(=O)c2ccnn2C(F)F)nc2ccccc21
InChIInChI=1S/C13H11F2N5O/c1-19-9-5-3-2-4-8(9)17-13(19)18-11(21)10-6-7-16-20(10)12(14)15/h2-7,12H,1H3,(H,17,18,21)
InChIKeyGGTMJGWUYODDHH-UHFFFAOYSA-N
XLogP2.42
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(1-propylbenzimidazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487608
2,5-dimethyl-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19481245
1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide
CID 110471540
2,4-dimethyl-N-(1-methylbenzimidazol-2-yl)-1,3-oxazole-5-carboxamide
CID 10333328
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(difluoromethyl)pyrazole-3-carboxamide
CID 154850929
2-(difluoromethyl)-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]pyrazole-3-carboxamide
CID 46972380
1-methyl-N-(1-methylbenzimidazol-2-yl)-4-nitropyrazole-5-carboxamide
CID 19580199
N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 139022042
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
N-(1-methylbenzimidazol-2-yl)-4-phenoxybenzamide
CID 72725713
3-amino-N-(1-methylbenzimidazol-2-yl)benzamide
CID 110474422
1-ethyl-5-methyl-N-(1-methylbenzimidazol-2-yl)pyrazole-4-carboxamide
CID 19280706

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide (CID 19506776) is 2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide is Cn1c(NC(=O)c2ccnn2C(F)F)nc2ccccc21.
What is the InChIKey of 2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is GGTMJGWUYODDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5O/c1-19-9-5-3-2-4-8(9)17-13(19)18-11(21)10-6-7-16-20(10)12(14)15/h2-7,12H,1H3,(H,17,18,21).
What are the key properties of 2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide?
2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 291.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 19506776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).