N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide

C22H21N7O — CID 78830472

IUPACN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C22H21N7O/c30-22(17-9-6-12-19(13-17)28-15-23-26-27-28)24-21-14-20(16-7-4-5-8-16)25-29(21)18-10-2-1-3-11-18/h1-3,6,9-16H,4-5,7-8H2,(H,24,30)
InChIKeyUMNKJBHAFPTGIA-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.76
Rot. Bonds5

About N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide (PubChem CID 78830472) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide
PubChem CID78830472
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C22H21N7O/c30-22(17-9-6-12-19(13-17)28-15-23-26-27-28)24-21-14-20(16-7-4-5-8-16)25-29(21)18-10-2-1-3-11-18/h1-3,6,9-16H,4-5,7-8H2,(H,24,30)
InChIKeyUMNKJBHAFPTGIA-UHFFFAOYSA-N
XLogP3.76
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-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

3-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)benzamide
CID 134797164
4-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)benzamide
CID 78830462
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
CID 71943773
2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734
phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate
CID 66876742
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459
N-(4-benzamido-2,5-dimethoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 26210844
N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(tetrazol-1-yl)benzamide
CID 99453843
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide
CID 3215286
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-(dicyclopropylmethyl)-3-(tetrazol-1-yl)benzamide
CID 25492900

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide (CID 78830472) is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide is O=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is UMNKJBHAFPTGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c30-22(17-9-6-12-19(13-17)28-15-23-26-27-28)24-21-14-20(16-7-4-5-8-16)25-29(21)18-10-2-1-3-11-18/h1-3,6,9-16H,4-5,7-8H2,(H,24,30).
What are the key properties of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide?
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 399.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 78830472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).