1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazole-3-carboxamide

C15H17F2N3O4S — CID 167959435

IUPAC1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazole-3-carboxamide
SMILESCC(C)(CS(C)(=O)=O)NC(=O)c1nn(-c2ccc(F)cc2F)cc1O
InChIInChI=1S/C15H17F2N3O4S/c1-15(2,8-25(3,23)24)18-14(22)13-12(21)7-20(19-13)11-5-4-9(16)6-10(11)17/h4-7,21H,8H2,1-3H3,(H,18,22)
InChIKeyRHHSSGBZLFJRHS-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.41
Rot. Bonds5

About 1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazole-3-carboxamide

1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazole-3-carboxamide (PubChem CID 167959435) has the molecular formula C15H17F2N3O4S and a molecular weight of 373.38 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazole-3-carboxamide
PubChem CID167959435
Molecular FormulaC15H17F2N3O4S
Molecular Weight373.38 g/mol
Exact Mass373.09
IUPAC Name1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazole-3-carboxamide
SMILESCC(C)(CS(C)(=O)=O)NC(=O)c1nn(-c2ccc(F)cc2F)cc1O
InChIInChI=1S/C15H17F2N3O4S/c1-15(2,8-25(3,23)24)18-14(22)13-12(21)7-20(19-13)11-5-4-9(16)6-10(11)17/h4-7,21H,8H2,1-3H3,(H,18,22)
InChIKeyRHHSSGBZLFJRHS-UHFFFAOYSA-N
XLogP1.41
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)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 1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazole-3-carboxamide (CID 167959435) is 1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazole-3-carboxamide is CC(C)(CS(C)(=O)=O)NC(=O)c1nn(-c2ccc(F)cc2F)cc1O.
What is the InChIKey of 1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazole-3-carboxamide?
The InChIKey is RHHSSGBZLFJRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O4S/c1-15(2,8-25(3,23)24)18-14(22)13-12(21)7-20(19-13)11-5-4-9(16)6-10(11)17/h4-7,21H,8H2,1-3H3,(H,18,22).
What are the key properties of 1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazole-3-carboxamide?
1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazole-3-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4-hydroxy-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 167959435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).