N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C17H14N6O — CID 108805329

IUPACN-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3nc[nH]c3c2)cnn1-c1ccccn1
InChIInChI=1S/C17H14N6O/c1-11-13(9-21-23(11)16-4-2-3-7-18-16)17(24)22-12-5-6-14-15(8-12)20-10-19-14/h2-10H,1H3,(H,19,20)(H,22,24)
InChIKeySPEXYUDJNLGYDB-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.70
Rot. Bonds3

About N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 108805329) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID108805329
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC NameN-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3nc[nH]c3c2)cnn1-c1ccccn1
InChIInChI=1S/C17H14N6O/c1-11-13(9-21-23(11)16-4-2-3-7-18-16)17(24)22-12-5-6-14-15(8-12)20-10-19-14/h2-10H,1H3,(H,19,20)(H,22,24)
InChIKeySPEXYUDJNLGYDB-UHFFFAOYSA-N
XLogP2.70
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-pyridin-2-yl-N-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 24825177
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CID 108793466
N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944134
5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46546318
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CID 15944140
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-(3H-benzimidazol-5-yl)-2-fluorobenzamide
CID 110724315
N-(2-fluorophenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944125
5-methyl-1-pyridin-2-yl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide
CID 108748742
5-methyl-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 136834839
5-methyl-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 100610981
5-methyl-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108744669

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 108805329) is N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3nc[nH]c3c2)cnn1-c1ccccn1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is SPEXYUDJNLGYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-11-13(9-21-23(11)16-4-2-3-7-18-16)17(24)22-12-5-6-14-15(8-12)20-10-19-14/h2-10H,1H3,(H,19,20)(H,22,24).
What are the key properties of N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108805329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).