2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid

C8H13N3O4S — CID 102803966

IUPAC2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid
SMILESCc1nn(C)cc1NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C8H13N3O4S/c1-5-7(4-11(3)9-5)10-16(14,15)6(2)8(12)13/h4,6,10H,1-3H3,(H,12,13)
InChIKeyMPLJCUHGYJKMSW-UHFFFAOYSA-N
MW247.28 g/mol
LogP-0.06
Rot. Bonds4

About 2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid

2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid (PubChem CID 102803966) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid
PubChem CID102803966
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid
SMILESCc1nn(C)cc1NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C8H13N3O4S/c1-5-7(4-11(3)9-5)10-16(14,15)6(2)8(12)13/h4,6,10H,1-3H3,(H,12,13)
InChIKeyMPLJCUHGYJKMSW-UHFFFAOYSA-N
XLogP-0.06
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyano-N-(1,3-dimethylpyrazol-4-yl)ethanesulfonamide
CID 102805691
3-[(1,3-dimethylpyrazol-4-yl)amino]-2-methylbutanoic acid
CID 102805303
N-(1,3-dimethylpyrazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102806224
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 103791188
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 103796990
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-propan-2-ylpropanamide
CID 102805494
1,3-dimethyl-N-(2-propan-2-ylsulfonylethyl)pyrazol-4-amine
CID 106724603
4-bromo-N-(1,3-dimethylpyrazol-4-yl)benzenesulfonamide
CID 22209076
3-(1-carboxyethylsulfonylamino)-2-methylbenzoic acid
CID 61454859
2-[(2-aminophenyl)sulfamoyl]propanoic acid
CID 61457996
2-[5-[(1,3-dimethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487828
N-(1,3-dimethylpyrazol-4-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327562

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid (CID 102803966) is 2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid is Cc1nn(C)cc1NS(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid?
The InChIKey is MPLJCUHGYJKMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c1-5-7(4-11(3)9-5)10-16(14,15)6(2)8(12)13/h4,6,10H,1-3H3,(H,12,13).
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid?
2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid has a molecular weight of 247.28 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazol-4-yl)sulfamoyl]propanoic acid is sourced from PubChem (CID 102803966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).