N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide

C25H22N6O — CID 55581030

IUPACN-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C25H22N6O/c1-3-22-20(15-28-31(22)19-11-8-17(2)9-12-19)25(32)29-18-10-13-24(26-14-18)30-16-27-21-6-4-5-7-23(21)30/h4-16H,3H2,1-2H3,(H,29,32)
InChIKeyZFTASMYADWCYRF-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.73
Rot. Bonds5

About N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 55581030) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID55581030
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C25H22N6O/c1-3-22-20(15-28-31(22)19-11-8-17(2)9-12-19)25(32)29-18-10-13-24(26-14-18)30-16-27-21-6-4-5-7-23(21)30/h4-16H,3H2,1-2H3,(H,29,32)
InChIKeyZFTASMYADWCYRF-UHFFFAOYSA-N
XLogP4.73
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide
CID 37437425
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55786497
N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46584032
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 134004736
N-[6-(benzimidazol-1-yl)-3-pyridinyl]pentanamide
CID 134004728
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide
CID 56532118
5-ethyl-1-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)pyrazole-4-carboxamide
CID 55580357
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 46582435
N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46586204
N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55569976

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide (CID 55581030) is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)cnn1-c1ccc(C)cc1.
What is the InChIKey of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is ZFTASMYADWCYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-3-22-20(15-28-31(22)19-11-8-17(2)9-12-19)25(32)29-18-10-13-24(26-14-18)30-16-27-21-6-4-5-7-23(21)30/h4-16H,3H2,1-2H3,(H,29,32).
What are the key properties of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55581030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).