5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid

C14H15FN2O4S — CID 172914087

IUPAC5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid
SMILESCc1cc(-c2cnn(S(=O)(=O)C(C)C)c2)c(C(=O)O)cc1F
InChIInChI=1S/C14H15FN2O4S/c1-8(2)22(20,21)17-7-10(6-16-17)11-4-9(3)13(15)5-12(11)14(18)19/h4-8H,1-3H3,(H,18,19)
InChIKeyBEEQGJPQOCEBJD-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.28
Rot. Bonds4

About 5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid

5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid (PubChem CID 172914087) has the molecular formula C14H15FN2O4S and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid
PubChem CID172914087
Molecular FormulaC14H15FN2O4S
Molecular Weight326.35 g/mol
Exact Mass326.07
IUPAC Name5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid
SMILESCc1cc(-c2cnn(S(=O)(=O)C(C)C)c2)c(C(=O)O)cc1F
InChIInChI=1S/C14H15FN2O4S/c1-8(2)22(20,21)17-7-10(6-16-17)11-4-9(3)13(15)5-12(11)14(18)19/h4-8H,1-3H3,(H,18,19)
InChIKeyBEEQGJPQOCEBJD-UHFFFAOYSA-N
XLogP2.28
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid 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

2-(1-ethylpyrazol-4-yl)-5-fluoro-4-methylbenzoic acid
CID 172914074
4,5-difluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzaldehyde
CID 172909509
4-fluoro-2-(1-propan-2-ylsulfonylpyrazol-4-yl)phenol
CID 172879559
5-fluoro-4-methyl-2-(4-methylphenyl)benzoic acid
CID 172914061
2-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-4-fluoro-5-methylbenzoic acid
CID 172914566
[2,6-dimethyl-4-(1-propan-2-ylsulfonylpyrazol-4-yl)phenyl]methanol
CID 172876876
5-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzoic acid
CID 172914042
4-fluoro-5-methyl-2-(3-propan-2-ylphenyl)benzoic acid
CID 172914147
2-(2,4-dichlorophenyl)-5-fluoro-4-methylbenzoic acid
CID 172914048
2-chloro-4-(1-propan-2-ylsulfonylpyrazol-4-yl)-6-(trifluoromethyl)aniline
CID 171916797
4-fluoro-5-methyl-2-(3-methylsulfonylphenyl)benzoic acid
CID 172914117
2-fluoro-3-(1-propan-2-ylpyrazol-4-yl)benzoic acid
CID 171364605

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid?
The IUPAC name of 5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid (CID 172914087) is 5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid.
What is the SMILES notation for 5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid?
The canonical SMILES for 5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid is Cc1cc(-c2cnn(S(=O)(=O)C(C)C)c2)c(C(=O)O)cc1F.
What is the InChIKey of 5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid?
The InChIKey is BEEQGJPQOCEBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4S/c1-8(2)22(20,21)17-7-10(6-16-17)11-4-9(3)13(15)5-12(11)14(18)19/h4-8H,1-3H3,(H,18,19).
What are the key properties of 5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid?
5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid has a molecular weight of 326.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-(1-propan-2-ylsulfonylpyrazol-4-yl)benzoic acid is sourced from PubChem (CID 172914087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).