4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-4-methylpentanoic acid

C12H18N4O2 — CID 55241520

IUPAC4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-4-methylpentanoic acid
SMILESCc1nn(C)c(NC(C)(C)CCC(=O)O)c1C#N
InChIInChI=1S/C12H18N4O2/c1-8-9(7-13)11(16(4)15-8)14-12(2,3)6-5-10(17)18/h14H,5-6H2,1-4H3,(H,17,18)
InChIKeyBBRFJCLWWKBOLD-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.66
Rot. Bonds5

About 4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-4-methylpentanoic acid

4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-4-methylpentanoic acid (PubChem CID 55241520) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-4-methylpentanoic acid
PubChem CID55241520
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-4-methylpentanoic acid
SMILESCc1nn(C)c(NC(C)(C)CCC(=O)O)c1C#N
InChIInChI=1S/C12H18N4O2/c1-8-9(7-13)11(16(4)15-8)14-12(2,3)6-5-10(17)18/h14H,5-6H2,1-4H3,(H,17,18)
InChIKeyBBRFJCLWWKBOLD-UHFFFAOYSA-N
XLogP1.66
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-cyano-1,3-dimethylpyrazol-5-yl)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 4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-4-methylpentanoic acid (CID 55241520) is 4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-4-methylpentanoic acid is Cc1nn(C)c(NC(C)(C)CCC(=O)O)c1C#N.
What is the InChIKey of 4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-4-methylpentanoic acid?
The InChIKey is BBRFJCLWWKBOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-9(7-13)11(16(4)15-8)14-12(2,3)6-5-10(17)18/h14H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-4-methylpentanoic acid?
4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-4-methylpentanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 55241520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).