1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid

C12H14N4O4S — CID 60999303

IUPAC1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2cn[nH]c2)cn1C1CC1
InChIInChI=1S/C12H14N4O4S/c17-12(18)11-3-10(7-16(11)9-1-2-9)21(19,20)15-6-8-4-13-14-5-8/h3-5,7,9,15H,1-2,6H2,(H,13,14)(H,17,18)
InChIKeyBFWKSYPSEZVAPF-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.72
Rot. Bonds6

About 1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid

1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid (PubChem CID 60999303) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
PubChem CID60999303
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2cn[nH]c2)cn1C1CC1
InChIInChI=1S/C12H14N4O4S/c17-12(18)11-3-10(7-16(11)9-1-2-9)21(19,20)15-6-8-4-13-14-5-8/h3-5,7,9,15H,1-2,6H2,(H,13,14)(H,17,18)
InChIKeyBFWKSYPSEZVAPF-UHFFFAOYSA-N
XLogP0.72
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-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

Related Compounds

1-cyclopropyl-5-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)pyrrole-3-sulfonamide
CID 106015962
1-cyclopropyl-4-(1,3-thiazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 63830799
1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644604
1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 102695723
1-cyclopropyl-4-(pyrimidin-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644408
4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid
CID 106168338
1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61044270
1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 60920665
1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 61403195
1-cyclopropyl-4-[(2-methylpropan-2-yl)oxysulfamoyl]pyrrole-2-carboxylic acid
CID 82720159
1-cyclopropyl-4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 43644658
1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644623

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid (CID 60999303) is 1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCc2cn[nH]c2)cn1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
The InChIKey is BFWKSYPSEZVAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c17-12(18)11-3-10(7-16(11)9-1-2-9)21(19,20)15-6-8-4-13-14-5-8/h3-5,7,9,15H,1-2,6H2,(H,13,14)(H,17,18).
What are the key properties of 1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid?
1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid has a molecular weight of 310.34 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 60999303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).