N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide

C17H13N5O — CID 27649691

IUPACN-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H13N5O/c23-16(20-17-18-12-8-4-5-9-13(12)19-17)15-10-14(21-22-15)11-6-2-1-3-7-11/h1-10H,(H,21,22)(H2,18,19,20,23)
InChIKeyOCNHDKWIOADYGZ-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.21
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 27649691) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID27649691
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC NameN-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H13N5O/c23-16(20-17-18-12-8-4-5-9-13(12)19-17)15-10-14(21-22-15)11-6-2-1-3-7-11/h1-10H,(H,21,22)(H2,18,19,20,23)
InChIKeyOCNHDKWIOADYGZ-UHFFFAOYSA-N
XLogP3.21
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
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CID 21452404
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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 27649691) is N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide is O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is OCNHDKWIOADYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c23-16(20-17-18-12-8-4-5-9-13(12)19-17)15-10-14(21-22-15)11-6-2-1-3-7-11/h1-10H,(H,21,22)(H2,18,19,20,23).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 27649691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).