N-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide

C17H13N5O — CID 17469611

IUPACN-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C17H13N5O/c23-17(21-22-11-18-14-8-4-5-9-15(14)22)13-10-19-20-16(13)12-6-2-1-3-7-12/h1-11H,(H,19,20)(H,21,23)
InChIKeyUZYPLPUTAMTEMX-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.81
Rot. Bonds3

About N-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide

N-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 17469611) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID17469611
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC NameN-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C17H13N5O/c23-17(21-22-11-18-14-8-4-5-9-15(14)22)13-10-19-20-16(13)12-6-2-1-3-7-12/h1-11H,(H,19,20)(H,21,23)
InChIKeyUZYPLPUTAMTEMX-UHFFFAOYSA-N
XLogP2.81
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide (CID 17469611) is N-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide is O=C(Nn1cnc2ccccc21)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is UZYPLPUTAMTEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c23-17(21-22-11-18-14-8-4-5-9-15(14)22)13-10-19-20-16(13)12-6-2-1-3-7-12/h1-11H,(H,19,20)(H,21,23).
What are the key properties of N-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide?
N-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 17469611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).