N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide

C18H16FN3O — CID 55648066

IUPACN-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1C
InChIInChI=1S/C18H16FN3O/c1-12-7-8-14(11-13(12)2)20-18(23)16-9-10-22(21-16)17-6-4-3-5-15(17)19/h3-11H,1-2H3,(H,20,23)
InChIKeyNVXWEHZNQDXAJC-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.88
Rot. Bonds3

About N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide

N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 55648066) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
PubChem CID55648066
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1C
InChIInChI=1S/C18H16FN3O/c1-12-7-8-14(11-13(12)2)20-18(23)16-9-10-22(21-16)17-6-4-3-5-15(17)19/h3-11H,1-2H3,(H,20,23)
InChIKeyNVXWEHZNQDXAJC-UHFFFAOYSA-N
XLogP3.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide (CID 55648066) is N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is NVXWEHZNQDXAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-12-7-8-14(11-13(12)2)20-18(23)16-9-10-22(21-16)17-6-4-3-5-15(17)19/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide?
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 55648066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).