2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid

C17H20N4O5S — CID 119230806

IUPAC2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)n1
InChIInChI=1S/C17H20N4O5S/c22-16(18-15-9-10-21(19-15)11-17(23)24)8-3-12-1-6-14(7-2-12)27(25,26)20-13-4-5-13/h1-2,6-7,9-10,13,20H,3-5,8,11H2,(H,23,24)(H,18,19,22)
InChIKeyVMQPDSJIELBGCK-UHFFFAOYSA-N
MW392.44 g/mol
LogP0.98
Rot. Bonds9

About 2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid

2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid (PubChem CID 119230806) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid
PubChem CID119230806
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Name2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)n1
InChIInChI=1S/C17H20N4O5S/c22-16(18-15-9-10-21(19-15)11-17(23)24)8-3-12-1-6-14(7-2-12)27(25,26)20-13-4-5-13/h1-2,6-7,9-10,13,20H,3-5,8,11H2,(H,23,24)(H,18,19,22)
InChIKeyVMQPDSJIELBGCK-UHFFFAOYSA-N
XLogP0.98
TPSA130.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230901
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,2-diphenylethyl)propanamide
CID 55570051
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 55959827
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,5-difluorophenyl)propanamide
CID 92645802
2-[3-(4,4-dimethylpentanoylamino)pyrazol-1-yl]acetic acid
CID 119230848
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
CID 55977375
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(1,1-diphenylethyl)propanamide
CID 56523769
3-[4-(cyclopentylsulfamoyl)phenyl]-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 110353893
N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119404968
3-[4-(cyclopropylsulfamoyl)phenyl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424393

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid (CID 119230806) is 2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)n1.
What is the InChIKey of 2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is VMQPDSJIELBGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c22-16(18-15-9-10-21(19-15)11-17(23)24)8-3-12-1-6-14(7-2-12)27(25,26)20-13-4-5-13/h1-2,6-7,9-10,13,20H,3-5,8,11H2,(H,23,24)(H,18,19,22).
What are the key properties of 2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid?
2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 392.44 g/mol, XLogP of 0.98, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).