1,5-diphenyl-N-(2H-tetrazol-5-yl)pyrazole-3-carboxamide

C17H13N7O — CID 135379590

IUPAC1,5-diphenyl-N-(2H-tetrazol-5-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H13N7O/c25-16(18-17-19-22-23-20-17)14-11-15(12-7-3-1-4-8-12)24(21-14)13-9-5-2-6-10-13/h1-11H,(H2,18,19,20,22,23,25)
InChIKeyQVLVNOAMAMUIJM-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.30
Rot. Bonds4

About 1,5-diphenyl-N-(2H-tetrazol-5-yl)pyrazole-3-carboxamide

1,5-diphenyl-N-(2H-tetrazol-5-yl)pyrazole-3-carboxamide (PubChem CID 135379590) has the molecular formula C17H13N7O and a molecular weight of 331.34 g/mol. Its IUPAC name is 1,5-diphenyl-N-(2H-tetrazol-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-diphenyl-N-(2H-tetrazol-5-yl)pyrazole-3-carboxamide
PubChem CID135379590
Molecular FormulaC17H13N7O
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name1,5-diphenyl-N-(2H-tetrazol-5-yl)pyrazole-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H13N7O/c25-16(18-17-19-22-23-20-17)14-11-15(12-7-3-1-4-8-12)24(21-14)13-9-5-2-6-10-13/h1-11H,(H2,18,19,20,22,23,25)
InChIKeyQVLVNOAMAMUIJM-UHFFFAOYSA-N
XLogP2.30
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-N-(2H-tetrazol-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 1,5-diphenyl-N-(2H-tetrazol-5-yl)pyrazole-3-carboxamide (CID 135379590) is 1,5-diphenyl-N-(2H-tetrazol-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-diphenyl-N-(2H-tetrazol-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1,5-diphenyl-N-(2H-tetrazol-5-yl)pyrazole-3-carboxamide is O=C(Nc1nn[nH]n1)c1cc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1,5-diphenyl-N-(2H-tetrazol-5-yl)pyrazole-3-carboxamide?
The InChIKey is QVLVNOAMAMUIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O/c25-16(18-17-19-22-23-20-17)14-11-15(12-7-3-1-4-8-12)24(21-14)13-9-5-2-6-10-13/h1-11H,(H2,18,19,20,22,23,25).
What are the key properties of 1,5-diphenyl-N-(2H-tetrazol-5-yl)pyrazole-3-carboxamide?
1,5-diphenyl-N-(2H-tetrazol-5-yl)pyrazole-3-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-N-(2H-tetrazol-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 135379590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).