4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid

C12H19N3O3 — CID 43210968

IUPAC4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)C(C)n1cccn1)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-8(2)7-10(12(17)18)14-11(16)9(3)15-6-4-5-13-15/h4-6,8-10H,7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyMJFSZUJTMQDRNC-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.06
Rot. Bonds6

About 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid

4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid (PubChem CID 43210968) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid
PubChem CID43210968
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)C(C)n1cccn1)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-8(2)7-10(12(17)18)14-11(16)9(3)15-6-4-5-13-15/h4-6,8-10H,7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyMJFSZUJTMQDRNC-UHFFFAOYSA-N
XLogP1.06
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic 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 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid (CID 43210968) is 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid is CC(C)CC(NC(=O)C(C)n1cccn1)C(=O)O.
What is the InChIKey of 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid?
The InChIKey is MJFSZUJTMQDRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(2)7-10(12(17)18)14-11(16)9(3)15-6-4-5-13-15/h4-6,8-10H,7H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid?
4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid is sourced from PubChem (CID 43210968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).