2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid

C11H15N3O3 — CID 155272214

IUPAC2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cc(C2CC2)nn1C)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-6(11(16)17)12-10(15)9-5-8(7-3-4-7)13-14(9)2/h5-7H,3-4H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyFCBZOUOTMLUASV-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.50
Rot. Bonds4

About 2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid

2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid (PubChem CID 155272214) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid
PubChem CID155272214
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cc(C2CC2)nn1C)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-6(11(16)17)12-10(15)9-5-8(7-3-4-7)13-14(9)2/h5-7H,3-4H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyFCBZOUOTMLUASV-UHFFFAOYSA-N
XLogP0.50
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid (CID 155272214) is 2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid is CC(NC(=O)c1cc(C2CC2)nn1C)C(=O)O.
What is the InChIKey of 2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid?
The InChIKey is FCBZOUOTMLUASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6(11(16)17)12-10(15)9-5-8(7-3-4-7)13-14(9)2/h5-7H,3-4H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid?
2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 155272214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).