1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide

C21H19ClFN7O — CID 56532719

IUPAC1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cc(-n2nnnc2C)ccc1F
InChIInChI=1S/C21H19ClFN7O/c1-12-20(13(2)29(26-12)11-15-6-4-5-7-17(15)22)21(31)24-19-10-16(8-9-18(19)23)30-14(3)25-27-28-30/h4-10H,11H2,1-3H3,(H,24,31)
InChIKeyJQONYSMRCJOJJB-UHFFFAOYSA-N
MW439.88 g/mol
LogP3.88
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 56532719) has the molecular formula C21H19ClFN7O and a molecular weight of 439.88 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID56532719
Molecular FormulaC21H19ClFN7O
Molecular Weight439.88 g/mol
Exact Mass439.13
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cc(-n2nnnc2C)ccc1F
InChIInChI=1S/C21H19ClFN7O/c1-12-20(13(2)29(26-12)11-15-6-4-5-7-17(15)22)21(31)24-19-10-16(8-9-18(19)23)30-14(3)25-27-28-30/h4-10H,11H2,1-3H3,(H,24,31)
InChIKeyJQONYSMRCJOJJB-UHFFFAOYSA-N
XLogP3.88
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.88
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide
CID 8713967
1-[(2-chlorophenyl)methyl]-N-(2-ethylphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 8839325
1-benzyl-N-(2-fluoro-5-methylphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 35599064
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]pyrazole-4-carboxamide
CID 26122764
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-pentan-3-ylpyrazole-4-carboxamide
CID 2121968
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N'-(2,4,6-trichlorophenyl)pyrazole-4-carbohydrazide
CID 29204279
1-[(2-chlorophenyl)methyl]-N'-(2,5-dimethylfuran-3-carbonyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 7600649
5-chloro-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxamide
CID 29220669
N-(2-aminoethyl)-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119382459
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 56568252
1-benzyl-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 56532758
1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 2451344

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide (CID 56532719) is 1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cc(-n2nnnc2C)ccc1F.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is JQONYSMRCJOJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN7O/c1-12-20(13(2)29(26-12)11-15-6-4-5-7-17(15)22)21(31)24-19-10-16(8-9-18(19)23)30-14(3)25-27-28-30/h4-10H,11H2,1-3H3,(H,24,31).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 439.88 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 56532719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).