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

C11H15N5O4S — CID 61349658

IUPAC3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCn1cc(CNS(=O)(=O)c2cnn(CCC(=O)O)c2)cn1
InChIInChI=1S/C11H15N5O4S/c1-15-7-9(4-12-15)5-14-21(19,20)10-6-13-16(8-10)3-2-11(17)18/h4,6-8,14H,2-3,5H2,1H3,(H,17,18)
InChIKeyWUXKDDIFZWZQCL-UHFFFAOYSA-N
MW313.34 g/mol
LogP-0.43
Rot. Bonds7

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

3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 61349658) has the molecular formula C11H15N5O4S and a molecular weight of 313.34 g/mol. Its IUPAC name is 3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID61349658
Molecular FormulaC11H15N5O4S
Molecular Weight313.34 g/mol
Exact Mass313.08
IUPAC Name3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCn1cc(CNS(=O)(=O)c2cnn(CCC(=O)O)c2)cn1
InChIInChI=1S/C11H15N5O4S/c1-15-7-9(4-12-15)5-14-21(19,20)10-6-13-16(8-10)3-2-11(17)18/h4,6-8,14H,2-3,5H2,1H3,(H,17,18)
InChIKeyWUXKDDIFZWZQCL-UHFFFAOYSA-N
XLogP-0.43
TPSA119.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
1-[3-(methylamino)propyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018228
3-[4-(prop-2-ynylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513629
3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216092
3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 60919802
3-[4-(prop-2-enylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513626
3-[4-(2-methylbutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 55108808
3-[4-(hexylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513674
3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 64927716
3-[4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 65105497
3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 106840456

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid (CID 61349658) is 3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid is Cn1cc(CNS(=O)(=O)c2cnn(CCC(=O)O)c2)cn1.
What is the InChIKey of 3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is WUXKDDIFZWZQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4S/c1-15-7-9(4-12-15)5-14-21(19,20)10-6-13-16(8-10)3-2-11(17)18/h4,6-8,14H,2-3,5H2,1H3,(H,17,18).
What are the key properties of 3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 313.34 g/mol, XLogP of -0.43, 7 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)methylsulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 61349658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).