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

C9H11N5O4S — CID 43535059

IUPAC2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCn1cc(NS(=O)(=O)c2cnn(CC(=O)O)c2)cn1
InChIInChI=1S/C9H11N5O4S/c1-13-4-7(2-10-13)12-19(17,18)8-3-11-14(5-8)6-9(15)16/h2-5,12H,6H2,1H3,(H,15,16)
InChIKeyZWELCFHXILNVNQ-UHFFFAOYSA-N
MW285.29 g/mol
LogP-0.50
Rot. Bonds5

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

2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43535059) has the molecular formula C9H11N5O4S and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43535059
Molecular FormulaC9H11N5O4S
Molecular Weight285.29 g/mol
Exact Mass285.05
IUPAC Name2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCn1cc(NS(=O)(=O)c2cnn(CC(=O)O)c2)cn1
InChIInChI=1S/C9H11N5O4S/c1-13-4-7(2-10-13)12-19(17,18)8-3-11-14(5-8)6-9(15)16/h2-5,12H,6H2,1H3,(H,15,16)
InChIKeyZWELCFHXILNVNQ-UHFFFAOYSA-N
XLogP-0.50
TPSA119.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60933762
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-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511079
2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 62063149
2-[4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511036
2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 61166844
2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid
CID 62518576
2-[4-[(3-methylcyclobutyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 113467121

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 43535059) is 2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid is Cn1cc(NS(=O)(=O)c2cnn(CC(=O)O)c2)cn1.
What is the InChIKey of 2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is ZWELCFHXILNVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O4S/c1-13-4-7(2-10-13)12-19(17,18)8-3-11-14(5-8)6-9(15)16/h2-5,12H,6H2,1H3,(H,15,16).
What are the key properties of 2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 285.29 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43535059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).