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

C10H11N5O4S — CID 43513624

IUPAC3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)Nc2ncccn2)cn1
InChIInChI=1S/C10H11N5O4S/c16-9(17)2-5-15-7-8(6-13-15)20(18,19)14-10-11-3-1-4-12-10/h1,3-4,6-7H,2,5H2,(H,16,17)(H,11,12,14)
InChIKeyNQOHRWINABUPKW-UHFFFAOYSA-N
MW297.30 g/mol
LogP-0.05
Rot. Bonds6

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

3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 43513624) has the molecular formula C10H11N5O4S and a molecular weight of 297.30 g/mol. Its IUPAC name is 3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID43513624
Molecular FormulaC10H11N5O4S
Molecular Weight297.30 g/mol
Exact Mass297.05
IUPAC Name3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)Nc2ncccn2)cn1
InChIInChI=1S/C10H11N5O4S/c16-9(17)2-5-15-7-8(6-13-15)20(18,19)14-10-11-3-1-4-12-10/h1,3-4,6-7H,2,5H2,(H,16,17)(H,11,12,14)
InChIKeyNQOHRWINABUPKW-UHFFFAOYSA-N
XLogP-0.05
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(pyrazin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43616118
3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513480
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
1-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylpyrazole-4-sulfonamide
CID 106072011
3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513639
3-[4-(prop-2-ynylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513629
3-[4-(prop-2-enylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513626
3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216092
3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 106840456
3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 60919802

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 43513624) is 3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)Nc2ncccn2)cn1.
What is the InChIKey of 3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is NQOHRWINABUPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4S/c16-9(17)2-5-15-7-8(6-13-15)20(18,19)14-10-11-3-1-4-12-10/h1,3-4,6-7H,2,5H2,(H,16,17)(H,11,12,14).
What are the key properties of 3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 297.30 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43513624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).