5-cyclopropyl-1-[3-[(2-methoxyphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid

C20H19N3O5S — CID 164616050

IUPAC5-cyclopropyl-1-[3-[(2-methoxyphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid
SMILESCOc1ccccc1S(=O)(=O)Nc1cccc(-n2ncc(C(=O)O)c2C2CC2)c1
InChIInChI=1S/C20H19N3O5S/c1-28-17-7-2-3-8-18(17)29(26,27)22-14-5-4-6-15(11-14)23-19(13-9-10-13)16(12-21-23)20(24)25/h2-8,11-13,22H,9-10H2,1H3,(H,24,25)
InChIKeyZKPVALSNUTYSHR-UHFFFAOYSA-N
MW413.46 g/mol
LogP3.26
Rot. Bonds7

About 5-cyclopropyl-1-[3-[(2-methoxyphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid

5-cyclopropyl-1-[3-[(2-methoxyphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid (PubChem CID 164616050) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 5-cyclopropyl-1-[3-[(2-methoxyphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-1-[3-[(2-methoxyphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid
PubChem CID164616050
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name5-cyclopropyl-1-[3-[(2-methoxyphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid
SMILESCOc1ccccc1S(=O)(=O)Nc1cccc(-n2ncc(C(=O)O)c2C2CC2)c1
InChIInChI=1S/C20H19N3O5S/c1-28-17-7-2-3-8-18(17)29(26,27)22-14-5-4-6-15(11-14)23-19(13-9-10-13)16(12-21-23)20(24)25/h2-8,11-13,22H,9-10H2,1H3,(H,24,25)
InChIKeyZKPVALSNUTYSHR-UHFFFAOYSA-N
XLogP3.26
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[3-[(2-methoxyphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid?
The IUPAC name of 5-cyclopropyl-1-[3-[(2-methoxyphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid (CID 164616050) is 5-cyclopropyl-1-[3-[(2-methoxyphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-1-[3-[(2-methoxyphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-1-[3-[(2-methoxyphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid is COc1ccccc1S(=O)(=O)Nc1cccc(-n2ncc(C(=O)O)c2C2CC2)c1.
What is the InChIKey of 5-cyclopropyl-1-[3-[(2-methoxyphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid?
The InChIKey is ZKPVALSNUTYSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-28-17-7-2-3-8-18(17)29(26,27)22-14-5-4-6-15(11-14)23-19(13-9-10-13)16(12-21-23)20(24)25/h2-8,11-13,22H,9-10H2,1H3,(H,24,25).
What are the key properties of 5-cyclopropyl-1-[3-[(2-methoxyphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid?
5-cyclopropyl-1-[3-[(2-methoxyphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid has a molecular weight of 413.46 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[3-[(2-methoxyphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 164616050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).