1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid

C12H14N4O4S — CID 43644623

IUPAC1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCn1cc(NS(=O)(=O)c2cc(C(=O)O)n(C3CC3)c2)cn1
InChIInChI=1S/C12H14N4O4S/c1-15-6-8(5-13-15)14-21(19,20)10-4-11(12(17)18)16(7-10)9-2-3-9/h4-7,9,14H,2-3H2,1H3,(H,17,18)
InChIKeyLSGBCLJSRBZFHU-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.06
Rot. Bonds5

About 1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid

1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid (PubChem CID 43644623) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
PubChem CID43644623
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
SMILESCn1cc(NS(=O)(=O)c2cc(C(=O)O)n(C3CC3)c2)cn1
InChIInChI=1S/C12H14N4O4S/c1-15-6-8(5-13-15)14-21(19,20)10-4-11(12(17)18)16(7-10)9-2-3-9/h4-7,9,14H,2-3H2,1H3,(H,17,18)
InChIKeyLSGBCLJSRBZFHU-UHFFFAOYSA-N
XLogP1.06
TPSA106.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644624
1-cyclopropyl-4-(pyrimidin-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644408
1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 102695723
1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61044270
1-cyclopropyl-4-[(2-methylpropan-2-yl)oxysulfamoyl]pyrrole-2-carboxylic acid
CID 82720159
1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644618
4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid
CID 106168338
1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644604
1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 61403195
1-cyclopropyl-4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 43644658
4-hydroxy-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43535283
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid (CID 43644623) is 1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid is Cn1cc(NS(=O)(=O)c2cc(C(=O)O)n(C3CC3)c2)cn1.
What is the InChIKey of 1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid?
The InChIKey is LSGBCLJSRBZFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-15-6-8(5-13-15)14-21(19,20)10-4-11(12(17)18)16(7-10)9-2-3-9/h4-7,9,14H,2-3H2,1H3,(H,17,18).
What are the key properties of 1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid?
1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid has a molecular weight of 310.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 43644623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).