3-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid

C10H13N5O4S — CID 43535057

IUPAC3-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCn1cc(NS(=O)(=O)c2cnn(CCC(=O)O)c2)cn1
InChIInChI=1S/C10H13N5O4S/c1-14-6-8(4-11-14)13-20(18,19)9-5-12-15(7-9)3-2-10(16)17/h4-7,13H,2-3H2,1H3,(H,16,17)
InChIKeyQPPYOMJSVJOQQS-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.11
Rot. Bonds6

About 3-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid

3-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 43535057) has the molecular formula C10H13N5O4S and a molecular weight of 299.31 g/mol. Its IUPAC name is 3-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID43535057
Molecular FormulaC10H13N5O4S
Molecular Weight299.31 g/mol
Exact Mass299.07
IUPAC Name3-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCn1cc(NS(=O)(=O)c2cnn(CCC(=O)O)c2)cn1
InChIInChI=1S/C10H13N5O4S/c1-14-6-8(4-11-14)13-20(18,19)9-5-12-15(7-9)3-2-10(16)17/h4-7,13H,2-3H2,1H3,(H,16,17)
InChIKeyQPPYOMJSVJOQQS-UHFFFAOYSA-N
XLogP-0.11
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 ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 2-[4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonylamino]pyrazol-1-yl]acetate
CID 121555592
3-(4-Pyrrolidin-1-ylsulfonylpyrazol-1-yl)propanoic acid
CID 43513469
3-[4-(Propylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513474
3-[4-(2-Methylbutan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513477
3-[4-(Tert-butylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513486
3-[4-(Propan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513489
3-[4-(Butan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513499
3-[4-(Pentan-3-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513511
3-[4-[2-(Dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513517
3-[4-(Ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
3-[4-[(2-Amino-2-oxoethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513529
3-[4-[2-(Diethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513565

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid (CID 43535057) is 3-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid is Cn1cc(NS(=O)(=O)c2cnn(CCC(=O)O)c2)cn1.
What is the InChIKey of 3-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is QPPYOMJSVJOQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S/c1-14-6-8(4-11-14)13-20(18,19)9-5-12-15(7-9)3-2-10(16)17/h4-7,13H,2-3H2,1H3,(H,16,17).
What are the key properties of 3-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 299.31 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43535057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).