3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid

C9H10N4O4S2 — CID 43513480

IUPAC3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)Nc2nccs2)cn1
InChIInChI=1S/C9H10N4O4S2/c14-8(15)1-3-13-6-7(5-11-13)19(16,17)12-9-10-2-4-18-9/h2,4-6H,1,3H2,(H,10,12)(H,14,15)
InChIKeyNPSFSUKEBOKDFN-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.62
Rot. Bonds6

About 3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid

3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 43513480) has the molecular formula C9H10N4O4S2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID43513480
Molecular FormulaC9H10N4O4S2
Molecular Weight302.34 g/mol
Exact Mass302.01
IUPAC Name3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)Nc2nccs2)cn1
InChIInChI=1S/C9H10N4O4S2/c14-8(15)1-3-13-6-7(5-11-13)19(16,17)12-9-10-2-4-18-9/h2,4-6H,1,3H2,(H,10,12)(H,14,15)
InChIKeyNPSFSUKEBOKDFN-UHFFFAOYSA-N
XLogP0.62
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513639
3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513624
1-[3-(methylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031715
1-[3-(propan-2-ylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031633
1-[3-(propylamino)propyl]-N-(1,3-thiazol-2-yl)pyrazole-4-sulfonamide
CID 106031917
3-[4-(pyrazin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43616118
3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513657
3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513637
3-(4-nitropyrazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19555438
3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 60919802
3-[4-(prop-2-enylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513626

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 43513480) is 3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)Nc2nccs2)cn1.
What is the InChIKey of 3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is NPSFSUKEBOKDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4S2/c14-8(15)1-3-13-6-7(5-11-13)19(16,17)12-9-10-2-4-18-9/h2,4-6H,1,3H2,(H,10,12)(H,14,15).
What are the key properties of 3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 302.34 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43513480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).