N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide

C12H11F2N3O — CID 110685919

IUPACN-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2F)n(C)n1
InChIInChI=1S/C12H11F2N3O/c1-7-5-11(17(2)16-7)12(18)15-10-4-3-8(13)6-9(10)14/h3-6H,1-2H3,(H,15,18)
InChIKeyRJCMNSDJJOVZOU-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.26
Rot. Bonds2

About N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide

N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 110685919) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID110685919
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)cc2F)n(C)n1
InChIInChI=1S/C12H11F2N3O/c1-7-5-11(17(2)16-7)12(18)15-10-4-3-8(13)6-9(10)14/h3-6H,1-2H3,(H,15,18)
InChIKeyRJCMNSDJJOVZOU-UHFFFAOYSA-N
XLogP2.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-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

Related Compounds

N-(5-amino-2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 66126880
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 66127110
N-(6-fluoro-3-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
CID 103789986
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16809683
N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61061508
5-amino-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 66128596
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791549
N-(2,4-difluorophenyl)-1-methyl-5-nitropyrazole-4-carboxamide
CID 2819094
N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481247
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 1486901
N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide
CID 110467265

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide (CID 110685919) is N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(F)cc2F)n(C)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is RJCMNSDJJOVZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-7-5-11(17(2)16-7)12(18)15-10-4-3-8(13)6-9(10)14/h3-6H,1-2H3,(H,15,18).
What are the key properties of N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide?
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 251.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 110685919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).