3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid

C17H17N3O4S — CID 137315774

IUPAC3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid
SMILESCS(=O)(=O)Cc1ccc(-c2c(C(=O)O)[nH]c3c(C4CC4)[nH]nc23)cc1
InChIInChI=1S/C17H17N3O4S/c1-25(23,24)8-9-2-4-10(5-3-9)12-14-16(18-15(12)17(21)22)13(19-20-14)11-6-7-11/h2-5,11,18H,6-8H2,1H3,(H,19,20)(H,21,22)
InChIKeyJXLONBFTBTYZKB-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.68
Rot. Bonds5

About 3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid

3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid (PubChem CID 137315774) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid
PubChem CID137315774
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid
SMILESCS(=O)(=O)Cc1ccc(-c2c(C(=O)O)[nH]c3c(C4CC4)[nH]nc23)cc1
InChIInChI=1S/C17H17N3O4S/c1-25(23,24)8-9-2-4-10(5-3-9)12-14-16(18-15(12)17(21)22)13(19-20-14)11-6-7-11/h2-5,11,18H,6-8H2,1H3,(H,19,20)(H,21,22)
InChIKeyJXLONBFTBTYZKB-UHFFFAOYSA-N
XLogP2.68
TPSA115.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid (CID 137315774) is 3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid is CS(=O)(=O)Cc1ccc(-c2c(C(=O)O)[nH]c3c(C4CC4)[nH]nc23)cc1.
What is the InChIKey of 3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid?
The InChIKey is JXLONBFTBTYZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-25(23,24)8-9-2-4-10(5-3-9)12-14-16(18-15(12)17(21)22)13(19-20-14)11-6-7-11/h2-5,11,18H,6-8H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid?
3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid has a molecular weight of 359.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[4-(methylsulfonylmethyl)phenyl]-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 137315774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).