5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid

C9H14N2O3 — CID 23362702

IUPAC5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid
SMILESCC1=NN(CCCCC(=O)O)C(=O)C1
InChIInChI=1S/C9H14N2O3/c1-7-6-8(12)11(10-7)5-3-2-4-9(13)14/h2-6H2,1H3,(H,13,14)
InChIKeyDHNNVWKZGYINKR-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.85
Rot. Bonds5

About 5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid

5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid (PubChem CID 23362702) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid
PubChem CID23362702
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid
SMILESCC1=NN(CCCCC(=O)O)C(=O)C1
InChIInChI=1S/C9H14N2O3/c1-7-6-8(12)11(10-7)5-3-2-4-9(13)14/h2-6H2,1H3,(H,13,14)
InChIKeyDHNNVWKZGYINKR-UHFFFAOYSA-N
XLogP0.85
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(3-methyl-5-oxo-4H-pyrazol-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

Related Compounds

5-methyl-2-prop-2-enyl-4H-pyrazol-3-one
CID 12894099
5-(4-ethyl-2,5-dioxopiperazin-1-yl)pentanoic acid
CID 79936678
10-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)decanoic acid
CID 18790434
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
7-(2-oxo-4-sulfanylpyrrolidin-1-yl)heptanoic acid
CID 168709291
5-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanoic acid
CID 102889464
1-[2-(dimethylamino)ethyl]-5-oxo-4H-pyrazole-3-carboxylic acid
CID 62687669
1-hydroxypyrrolidine-2,5-dione;tetradecanoic acid
CID 68586351
2-(1-ethyl-5-oxo-4H-pyrazol-3-yl)acetic acid
CID 61264165
methanol;tridecanedioic acid
CID 175511493
hexanedioic acid;propan-2-one
CID 158520683
heptadecanedioic acid
CID 3083765

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid?
The IUPAC name of 5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid (CID 23362702) is 5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid?
The canonical SMILES for 5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid is CC1=NN(CCCCC(=O)O)C(=O)C1.
What is the InChIKey of 5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid?
The InChIKey is DHNNVWKZGYINKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7-6-8(12)11(10-7)5-3-2-4-9(13)14/h2-6H2,1H3,(H,13,14).
What are the key properties of 5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid?
5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid has a molecular weight of 198.22 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-5-oxo-4H-pyrazol-1-yl)pentanoic acid is sourced from PubChem (CID 23362702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).