4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid

C9H15N3O2 — CID 142144868

IUPAC4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid
SMILESCc1cnn(C(C)CCC(=O)O)c1N
InChIInChI=1S/C9H15N3O2/c1-6-5-11-12(9(6)10)7(2)3-4-8(13)14/h5,7H,3-4,10H2,1-2H3,(H,13,14)
InChIKeyZKHUJQCOPKORBM-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.20
Rot. Bonds4

About 4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid

4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid (PubChem CID 142144868) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid
PubChem CID142144868
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid
SMILESCc1cnn(C(C)CCC(=O)O)c1N
InChIInChI=1S/C9H15N3O2/c1-6-5-11-12(9(6)10)7(2)3-4-8(13)14/h5,7H,3-4,10H2,1-2H3,(H,13,14)
InChIKeyZKHUJQCOPKORBM-UHFFFAOYSA-N
XLogP1.20
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-amino-4-methylpyrazol-1-yl)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-(5-amino-4-methylpyrazol-1-yl)pentanoic acid?
The IUPAC name of 4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid (CID 142144868) is 4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid.
What is the SMILES notation for 4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid?
The canonical SMILES for 4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid is Cc1cnn(C(C)CCC(=O)O)c1N.
What is the InChIKey of 4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid?
The InChIKey is ZKHUJQCOPKORBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-5-11-12(9(6)10)7(2)3-4-8(13)14/h5,7H,3-4,10H2,1-2H3,(H,13,14).
What are the key properties of 4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid?
4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid has a molecular weight of 197.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4-methylpyrazol-1-yl)pentanoic acid is sourced from PubChem (CID 142144868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).