5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide

C18H16F2N4O — CID 71579924

IUPAC5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(C)c(-c3ccc(F)cc3F)c2C)n1
InChIInChI=1S/C18H16F2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)13-8-7-12(19)9-14(13)20/h4-9H,1-3H3,(H,21,22,25)
InChIKeyNUFYVALTQZQIIW-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.63
Rot. Bonds3

About 5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide

5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 71579924) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID71579924
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(C)c(-c3ccc(F)cc3F)c2C)n1
InChIInChI=1S/C18H16F2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)13-8-7-12(19)9-14(13)20/h4-9H,1-3H3,(H,21,22,25)
InChIKeyNUFYVALTQZQIIW-UHFFFAOYSA-N
XLogP3.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide (CID 71579924) is 5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide is Cc1cccc(NC(=O)c2nn(C)c(-c3ccc(F)cc3F)c2C)n1.
What is the InChIKey of 5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is NUFYVALTQZQIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-10-5-4-6-15(21-10)22-18(25)16-11(2)17(24(3)23-16)13-8-7-12(19)9-14(13)20/h4-9H,1-3H3,(H,21,22,25).
What are the key properties of 5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide?
5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-1,4-dimethyl-N-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71579924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).