3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid

C10H15N3O4S — CID 54929857

IUPAC3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid
SMILESCc1[nH]ncc1S(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C10H15N3O4S/c1-7-9(6-11-12-7)18(16,17)13(8-2-3-8)5-4-10(14)15/h6,8H,2-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyIBTIMDWRHIDVSL-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.35
Rot. Bonds6

About 3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid

3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid (PubChem CID 54929857) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid
PubChem CID54929857
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid
SMILESCc1[nH]ncc1S(=O)(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C10H15N3O4S/c1-7-9(6-11-12-7)18(16,17)13(8-2-3-8)5-4-10(14)15/h6,8H,2-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyIBTIMDWRHIDVSL-UHFFFAOYSA-N
XLogP0.35
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid (CID 54929857) is 3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid is Cc1[nH]ncc1S(=O)(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid?
The InChIKey is IBTIMDWRHIDVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-7-9(6-11-12-7)18(16,17)13(8-2-3-8)5-4-10(14)15/h6,8H,2-5H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid?
3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]propanoic acid is sourced from PubChem (CID 54929857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).