N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide

C17H13N7O — CID 55700294

IUPACN-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H13N7O/c25-17(13-4-1-6-15(10-13)24-12-18-21-22-24)20-14-5-2-7-16(11-14)23-9-3-8-19-23/h1-12H,(H,20,25)
InChIKeyKGPBBCLGPIREIN-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.10
Rot. Bonds4

About N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide

N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide (PubChem CID 55700294) has the molecular formula C17H13N7O and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
PubChem CID55700294
Molecular FormulaC17H13N7O
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC NameN-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cccc(-n2cccn2)c1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H13N7O/c25-17(13-4-1-6-15(10-13)24-12-18-21-22-24)20-14-5-2-7-16(11-14)23-9-3-8-19-23/h1-12H,(H,20,25)
InChIKeyKGPBBCLGPIREIN-UHFFFAOYSA-N
XLogP2.10
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
N-(3-fluorophenyl)-3-pyrazol-1-ylbenzamide
CID 95968194
2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 32696269
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
N-(3-methoxyphenyl)-3-pyrazol-1-ylbenzamide
CID 110698188
N-(4-bromo-3-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 26363553
methyl 2-chloro-5-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 34160272
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155
5-hydroxy-N-[3-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 63860092
4-(difluoromethylsulfanyl)-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 24617889
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(tetrazol-1-yl)benzamide
CID 862147
N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
CID 47367692

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide (CID 55700294) is N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide is O=C(Nc1cccc(-n2cccn2)c1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is KGPBBCLGPIREIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O/c25-17(13-4-1-6-15(10-13)24-12-18-21-22-24)20-14-5-2-7-16(11-14)23-9-3-8-19-23/h1-12H,(H,20,25).
What are the key properties of N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide?
N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 331.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylphenyl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55700294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).