3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid

C12H20N4O3 — CID 64895716

IUPAC3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid
SMILESCc1nn(C(C)C)c(C)c1NC(=O)C(N)CC(=O)O
InChIInChI=1S/C12H20N4O3/c1-6(2)16-8(4)11(7(3)15-16)14-12(19)9(13)5-10(17)18/h6,9H,5,13H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyUEZSLAQPALPWCD-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.82
Rot. Bonds5

About 3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid

3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid (PubChem CID 64895716) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid
PubChem CID64895716
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid
SMILESCc1nn(C(C)C)c(C)c1NC(=O)C(N)CC(=O)O
InChIInChI=1S/C12H20N4O3/c1-6(2)16-8(4)11(7(3)15-16)14-12(19)9(13)5-10(17)18/h6,9H,5,13H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyUEZSLAQPALPWCD-UHFFFAOYSA-N
XLogP0.82
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide
CID 54863652
2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide
CID 79809789
2-amino-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 61252272
2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylpropanamide
CID 114328057
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)cyclopropanecarboxamide
CID 61215930
2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylpentanamide
CID 54863689
2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
CID 61101804
2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
CID 61101810
2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
CID 54863665
5-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide
CID 54867107
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-propoxyacetamide
CID 48678933
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 71878927

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid (CID 64895716) is 3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid is Cc1nn(C(C)C)c(C)c1NC(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid?
The InChIKey is UEZSLAQPALPWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-6(2)16-8(4)11(7(3)15-16)14-12(19)9(13)5-10(17)18/h6,9H,5,13H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid?
3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid has a molecular weight of 268.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 64895716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).