3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

C13H15N3O4S — CID 64527885

IUPAC3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)O)[nH]n2)cc1
InChIInChI=1S/C13H15N3O4S/c1-8(2)9-3-5-10(6-4-9)21(19,20)16-12-7-11(13(17)18)14-15-12/h3-8H,1-2H3,(H,17,18)(H2,14,15,16)
InChIKeyFZLSQWAHQKNGOL-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.03
Rot. Bonds5

About 3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64527885) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
PubChem CID64527885
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)O)[nH]n2)cc1
InChIInChI=1S/C13H15N3O4S/c1-8(2)9-3-5-10(6-4-9)21(19,20)16-12-7-11(13(17)18)14-15-12/h3-8H,1-2H3,(H,17,18)(H2,14,15,16)
InChIKeyFZLSQWAHQKNGOL-UHFFFAOYSA-N
XLogP2.03
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527691
3-[[4-(cyanomethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 79184901
3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527883
3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid
CID 64527301
3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64528858
3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64526713
N-(6-chloropyrimidin-4-yl)-4-propan-2-ylbenzenesulfonamide
CID 86003781
2-(azocan-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024798
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide
CID 104821005
N-(4,6-dimethyl-2-pyridinyl)-4-propan-2-ylbenzenesulfonamide
CID 3376238
N-[4-fluoro-2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 113093010

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid (CID 64527885) is 3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid is CC(C)c1ccc(S(=O)(=O)Nc2cc(C(=O)O)[nH]n2)cc1.
What is the InChIKey of 3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is FZLSQWAHQKNGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-8(2)9-3-5-10(6-4-9)21(19,20)16-12-7-11(13(17)18)14-15-12/h3-8H,1-2H3,(H,17,18)(H2,14,15,16).
What are the key properties of 3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 309.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64527885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).