2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid

C12H19N3O3 — CID 110836563

IUPAC2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
SMILESCc1c(C(=O)N(C)C(C)C(=O)O)n[nH]c1C(C)C
InChIInChI=1S/C12H19N3O3/c1-6(2)9-7(3)10(14-13-9)11(16)15(5)8(4)12(17)18/h6,8H,1-5H3,(H,13,14)(H,17,18)
InChIKeyZQEZCPMBAZNTJI-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.39
Rot. Bonds4

About 2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid

2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 110836563) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
PubChem CID110836563
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
SMILESCc1c(C(=O)N(C)C(C)C(=O)O)n[nH]c1C(C)C
InChIInChI=1S/C12H19N3O3/c1-6(2)9-7(3)10(14-13-9)11(16)15(5)8(4)12(17)18/h6,8H,1-5H3,(H,13,14)(H,17,18)
InChIKeyZQEZCPMBAZNTJI-UHFFFAOYSA-N
XLogP1.39
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)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 2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid (CID 110836563) is 2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid is Cc1c(C(=O)N(C)C(C)C(=O)O)n[nH]c1C(C)C.
What is the InChIKey of 2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is ZQEZCPMBAZNTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-6(2)9-7(3)10(14-13-9)11(16)15(5)8(4)12(17)18/h6,8H,1-5H3,(H,13,14)(H,17,18).
What are the key properties of 2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid?
2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methyl-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 110836563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).