N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide

C25H21N7O — CID 24668798

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1-n1cnnn1
InChIInChI=1S/C25H21N7O/c33-25(22-13-7-8-14-23(22)32-18-27-29-30-32)26-15-21-17-31(16-19-9-3-1-4-10-19)28-24(21)20-11-5-2-6-12-20/h1-14,17-18H,15-16H2,(H,26,33)
InChIKeyQVYQNVIUBJOUJJ-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.50
Rot. Bonds7

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 24668798) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide
PubChem CID24668798
Molecular FormulaC25H21N7O
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1-n1cnnn1
InChIInChI=1S/C25H21N7O/c33-25(22-13-7-8-14-23(22)32-18-27-29-30-32)26-15-21-17-31(16-19-9-3-1-4-10-19)28-24(21)20-11-5-2-6-12-20/h1-14,17-18H,15-16H2,(H,26,33)
InChIKeyQVYQNVIUBJOUJJ-UHFFFAOYSA-N
XLogP3.50
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-nitrobenzamide
CID 25488874
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
CID 26117322
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
CID 46553209
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 24610550
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-chloro-2-nitrobenzamide
CID 46508773
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 24616530
(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
CID 51966415

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide (CID 24668798) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide is O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1-n1cnnn1.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is QVYQNVIUBJOUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c33-25(22-13-7-8-14-23(22)32-18-27-29-30-32)26-15-21-17-31(16-19-9-3-1-4-10-19)28-24(21)20-11-5-2-6-12-20/h1-14,17-18H,15-16H2,(H,26,33).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 435.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 24668798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).