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

C10H13N5O4S — CID 43543582

IUPAC2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCCn1cc(NS(=O)(=O)c2cnn(CC(=O)O)c2)cn1
InChIInChI=1S/C10H13N5O4S/c1-2-14-5-8(3-11-14)13-20(18,19)9-4-12-15(6-9)7-10(16)17/h3-6,13H,2,7H2,1H3,(H,16,17)
InChIKeyDBSDBCCVIUOELE-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.02
Rot. Bonds6

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

2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43543582) has the molecular formula C10H13N5O4S and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43543582
Molecular FormulaC10H13N5O4S
Molecular Weight299.31 g/mol
Exact Mass299.07
IUPAC Name2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCCn1cc(NS(=O)(=O)c2cnn(CC(=O)O)c2)cn1
InChIInChI=1S/C10H13N5O4S/c1-2-14-5-8(3-11-14)13-20(18,19)9-4-12-15(6-9)7-10(16)17/h3-6,13H,2,7H2,1H3,(H,16,17)
InChIKeyDBSDBCCVIUOELE-UHFFFAOYSA-N
XLogP-0.02
TPSA119.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 43430297
2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511040
2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 61018514
2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60933762
2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511079
2-[4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511036
2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid
CID 62518576
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 62063149
2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 66169743

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 43543582) is 2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid is CCn1cc(NS(=O)(=O)c2cnn(CC(=O)O)c2)cn1.
What is the InChIKey of 2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is DBSDBCCVIUOELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S/c1-2-14-5-8(3-11-14)13-20(18,19)9-4-12-15(6-9)7-10(16)17/h3-6,13H,2,7H2,1H3,(H,16,17).
What are the key properties of 2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 299.31 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43543582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).