2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid

C13H21N3O3 — CID 43170159

IUPAC2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid
SMILESCc1n[nH]c(C)c1CC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-7(2)5-11(13(18)19)14-12(17)6-10-8(3)15-16-9(10)4/h7,11H,5-6H2,1-4H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyBEYURDYXVSWKAU-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.18
Rot. Bonds6

About 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid

2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid (PubChem CID 43170159) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid
PubChem CID43170159
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid
SMILESCc1n[nH]c(C)c1CC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-7(2)5-11(13(18)19)14-12(17)6-10-8(3)15-16-9(10)4/h7,11H,5-6H2,1-4H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyBEYURDYXVSWKAU-UHFFFAOYSA-N
XLogP1.18
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic 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 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid (CID 43170159) is 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid is Cc1n[nH]c(C)c1CC(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is BEYURDYXVSWKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-7(2)5-11(13(18)19)14-12(17)6-10-8(3)15-16-9(10)4/h7,11H,5-6H2,1-4H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid?
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 43170159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).