1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide

C13H12ClN7O — CID 146096145

IUPAC1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)c2nn[nH]n2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN7O/c1-8-11(12(22)20(2)13-16-18-19-17-13)7-15-21(8)10-5-3-9(14)4-6-10/h3-7H,1-2H3,(H,16,17,18,19)
InChIKeyZWSMLBLQDVEHGH-UHFFFAOYSA-N
MW317.74 g/mol
LogP1.62
Rot. Bonds3

About 1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide (PubChem CID 146096145) has the molecular formula C13H12ClN7O and a molecular weight of 317.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide
PubChem CID146096145
Molecular FormulaC13H12ClN7O
Molecular Weight317.74 g/mol
Exact Mass317.08
IUPAC Name1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)c2nn[nH]n2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN7O/c1-8-11(12(22)20(2)13-16-18-19-17-13)7-15-21(8)10-5-3-9(14)4-6-10/h3-7H,1-2H3,(H,16,17,18,19)
InChIKeyZWSMLBLQDVEHGH-UHFFFAOYSA-N
XLogP1.62
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide (CID 146096145) is 1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide is Cc1c(C(=O)N(C)c2nn[nH]n2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide?
The InChIKey is ZWSMLBLQDVEHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN7O/c1-8-11(12(22)20(2)13-16-18-19-17-13)7-15-21(8)10-5-3-9(14)4-6-10/h3-7H,1-2H3,(H,16,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide has a molecular weight of 317.74 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,5-dimethyl-N-(2H-tetrazol-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 146096145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).