3-[4-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]pyrazol-1-yl]propanoic acid

C10H14N6O4S — CID 64548195

IUPAC3-[4-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NCCc2ncn[nH]2)cn1
InChIInChI=1S/C10H14N6O4S/c17-10(18)2-4-16-6-8(5-13-16)21(19,20)14-3-1-9-11-7-12-15-9/h5-7,14H,1-4H2,(H,17,18)(H,11,12,15)
InChIKeyOWXYGUSHLYVXSY-UHFFFAOYSA-N
MW314.33 g/mol
LogP-1.00
Rot. Bonds8

About 3-[4-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]pyrazol-1-yl]propanoic acid

3-[4-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 64548195) has the molecular formula C10H14N6O4S and a molecular weight of 314.33 g/mol. Its IUPAC name is 3-[4-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID64548195
Molecular FormulaC10H14N6O4S
Molecular Weight314.33 g/mol
Exact Mass314.08
IUPAC Name3-[4-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NCCc2ncn[nH]2)cn1
InChIInChI=1S/C10H14N6O4S/c17-10(18)2-4-16-6-8(5-13-16)21(19,20)14-3-1-9-11-7-12-15-9/h5-7,14H,1-4H2,(H,17,18)(H,11,12,15)
InChIKeyOWXYGUSHLYVXSY-UHFFFAOYSA-N
XLogP-1.00
TPSA142.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-aminoethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-4-sulfonamide
CID 106068103
3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 106840456
3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 60919802
3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
3-[4-(2-cyanoethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 55102482
3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 64927716
3-[4-(hexylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513674
3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216092
3-[4-(prop-2-enylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513626
3-[4-(prop-2-ynylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513629
1-[2-(propylamino)ethyl]-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106013151
3-[4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 65105497

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]pyrazol-1-yl]propanoic acid (CID 64548195) is 3-[4-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)NCCc2ncn[nH]2)cn1.
What is the InChIKey of 3-[4-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is OWXYGUSHLYVXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O4S/c17-10(18)2-4-16-6-8(5-13-16)21(19,20)14-3-1-9-11-7-12-15-9/h5-7,14H,1-4H2,(H,17,18)(H,11,12,15).
What are the key properties of 3-[4-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 314.33 g/mol, XLogP of -1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 64548195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).