1-[3-(benzenesulfonamido)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid

C19H17N3O4S — CID 155884472

IUPAC1-[3-(benzenesulfonamido)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1C1CC1
InChIInChI=1S/C19H17N3O4S/c23-19(24)17-12-20-22(18(17)13-9-10-13)15-6-4-5-14(11-15)21-27(25,26)16-7-2-1-3-8-16/h1-8,11-13,21H,9-10H2,(H,23,24)
InChIKeyIDKJYWWTGIDTLE-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.25
Rot. Bonds6

About 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid

1-[3-(benzenesulfonamido)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid (PubChem CID 155884472) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(benzenesulfonamido)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid
PubChem CID155884472
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name1-[3-(benzenesulfonamido)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1C1CC1
InChIInChI=1S/C19H17N3O4S/c23-19(24)17-12-20-22(18(17)13-9-10-13)15-6-4-5-14(11-15)21-27(25,26)16-7-2-1-3-8-16/h1-8,11-13,21H,9-10H2,(H,23,24)
InChIKeyIDKJYWWTGIDTLE-UHFFFAOYSA-N
XLogP3.25
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Cyclopropyl-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 22267908
1-[3-[2-hydroxy-2-oxoethyl(phenylsulfonyl)amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid
CID 155884473
1-[3-[(4-Butylphenyl)sulfonyl-(2-hydroxy-2-oxoethyl)amino]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid
CID 155884475
5-Cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid
CID 155884477
5-Cyclopropyl-1-[3-[2-hydroxy-2-oxoethyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl]pyrazole-4-carboxylic acid
CID 155884479
5-Cyclopropyl-1-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid
CID 155884478
5-Cyclopropyl-1-[3-[(4-propylphenyl)sulfonylamino]phenyl]pyrazole-4-carboxylic acid
CID 155884481
1-[3-[Carboxymethyl-(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-5-cyclopropylpyrazole-4-carboxylic acid
CID 164608994
1-[3-[carboxymethyl-(4-propylphenyl)sulfonylamino]phenyl]-5-[(1S,2S)-2-phenylcyclopropyl]pyrazole-4-carboxylic acid
CID 164609848
1-[3-[Carboxymethyl-(4-propylphenyl)sulfonylamino]phenyl]-5-cyclopropylpyrazole-4-carboxylic acid
CID 164612793
1-[3-[(2-Amino-2-oxoethyl)-(benzenesulfonyl)amino]phenyl]-5-cyclopropylpyrazole-4-carboxylic acid
CID 164614771
1-[3-[carboxymethyl-(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-5-[(1S,2S)-2-phenylcyclopropyl]pyrazole-4-carboxylic acid
CID 164618044

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid?
The IUPAC name of 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid (CID 155884472) is 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2cccc(NS(=O)(=O)c3ccccc3)c2)c1C1CC1.
What is the InChIKey of 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid?
The InChIKey is IDKJYWWTGIDTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c23-19(24)17-12-20-22(18(17)13-9-10-13)15-6-4-5-14(11-15)21-27(25,26)16-7-2-1-3-8-16/h1-8,11-13,21H,9-10H2,(H,23,24).
What are the key properties of 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid?
1-[3-(benzenesulfonamido)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid has a molecular weight of 383.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzenesulfonamido)phenyl]-5-cyclopropylpyrazole-4-carboxylic acid is sourced from PubChem (CID 155884472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).