4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid

C15H18FN3O4S — CID 110671710

IUPAC4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC(CCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O4S/c1-9-15(10(2)18-17-9)24(22,23)19-13(7-8-14(20)21)11-3-5-12(16)6-4-11/h3-6,13,19H,7-8H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyWSZBKOSGFCATOG-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.05
Rot. Bonds7

About 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid

4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid (PubChem CID 110671710) has the molecular formula C15H18FN3O4S and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid
PubChem CID110671710
Molecular FormulaC15H18FN3O4S
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC Name4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC(CCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H18FN3O4S/c1-9-15(10(2)18-17-9)24(22,23)19-13(7-8-14(20)21)11-3-5-12(16)6-4-11/h3-6,13,19H,7-8H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyWSZBKOSGFCATOG-UHFFFAOYSA-N
XLogP2.05
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic 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

(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanedioic acid
CID 61145220
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 39404732
7-(4-fluorophenyl)-7-[(4-methylphenyl)sulfonylamino]heptanoic acid
CID 139616882
4-acetamido-4-(4-fluorophenyl)butanoic acid
CID 110671651
(2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]pentanoic acid
CID 104935418
7-(4-fluorophenyl)-7-[[2-(trifluoromethyl)phenyl]sulfonylamino]heptanoic acid
CID 139616889
N-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110362945
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43078991
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-2-(3-methylphenyl)acetic acid
CID 136533007
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 79027745
N-(2-bromo-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28939204
2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
CID 62535345

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid?
The IUPAC name of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid (CID 110671710) is 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid.
What is the SMILES notation for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid?
The canonical SMILES for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid is Cc1n[nH]c(C)c1S(=O)(=O)NC(CCC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid?
The InChIKey is WSZBKOSGFCATOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O4S/c1-9-15(10(2)18-17-9)24(22,23)19-13(7-8-14(20)21)11-3-5-12(16)6-4-11/h3-6,13,19H,7-8H2,1-2H3,(H,17,18)(H,20,21).
What are the key properties of 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid?
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid has a molecular weight of 355.39 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-4-(4-fluorophenyl)butanoic acid is sourced from PubChem (CID 110671710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).