2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid

C12H19N3O5S — CID 60950282

IUPAC2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)N(CCO)C2CCCC2)cn1
InChIInChI=1S/C12H19N3O5S/c16-6-5-15(10-3-1-2-4-10)21(19,20)11-7-13-14(8-11)9-12(17)18/h7-8,10,16H,1-6,9H2,(H,17,18)
InChIKeySGZCZVCWGMOEHQ-UHFFFAOYSA-N
MW317.37 g/mol
LogP-0.11
Rot. Bonds7

About 2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 60950282) has the molecular formula C12H19N3O5S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID60950282
Molecular FormulaC12H19N3O5S
Molecular Weight317.37 g/mol
Exact Mass317.10
IUPAC Name2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)N(CCO)C2CCCC2)cn1
InChIInChI=1S/C12H19N3O5S/c16-6-5-15(10-3-1-2-4-10)21(19,20)11-7-13-14(8-11)9-12(17)18/h7-8,10,16H,1-6,9H2,(H,17,18)
InChIKeySGZCZVCWGMOEHQ-UHFFFAOYSA-N
XLogP-0.11
TPSA112.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[cycloheptyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43613863
2-[4-[cyclopropyl(3-methylbutyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60951551
3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43541006
2-[cyclopentyl-(1-methylpyrazol-4-yl)sulfonylamino]acetic acid
CID 60829977
2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 61039541
2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511008
2-[4-[2-ethoxyethyl(ethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63698100
2-[4-(dicyclohexylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19500473
2-[4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 104551510
2-[4-[(2-prop-2-enylcyclohexyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 139014302
2-[4-[methyl(oxan-4-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 63712750
6-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61046307

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 60950282) is 2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)N(CCO)C2CCCC2)cn1.
What is the InChIKey of 2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is SGZCZVCWGMOEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5S/c16-6-5-15(10-3-1-2-4-10)21(19,20)11-7-13-14(8-11)9-12(17)18/h7-8,10,16H,1-6,9H2,(H,17,18).
What are the key properties of 2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 317.37 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 60950282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).