3-methyl-2-(1H-pyrazole-4-carbonylamino)pentanoic acid

C10H15N3O3 — CID 43565598

IUPAC3-methyl-2-(1H-pyrazole-4-carbonylamino)pentanoic acid
SMILESCCC(C)C(NC(=O)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-6(2)8(10(15)16)13-9(14)7-4-11-12-5-7/h4-6,8H,3H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyWGZZXXYCHWVGNX-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.64
Rot. Bonds5

About 3-methyl-2-(1H-pyrazole-4-carbonylamino)pentanoic acid

3-methyl-2-(1H-pyrazole-4-carbonylamino)pentanoic acid (PubChem CID 43565598) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-methyl-2-(1H-pyrazole-4-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-(1H-pyrazole-4-carbonylamino)pentanoic acid
PubChem CID43565598
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-methyl-2-(1H-pyrazole-4-carbonylamino)pentanoic acid
SMILESCCC(C)C(NC(=O)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-6(2)8(10(15)16)13-9(14)7-4-11-12-5-7/h4-6,8H,3H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyWGZZXXYCHWVGNX-UHFFFAOYSA-N
XLogP0.64
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2-(1H-pyrazole-4-carbonylamino)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 3-methyl-2-(1H-pyrazole-4-carbonylamino)pentanoic acid?
The IUPAC name of 3-methyl-2-(1H-pyrazole-4-carbonylamino)pentanoic acid (CID 43565598) is 3-methyl-2-(1H-pyrazole-4-carbonylamino)pentanoic acid.
What is the SMILES notation for 3-methyl-2-(1H-pyrazole-4-carbonylamino)pentanoic acid?
The canonical SMILES for 3-methyl-2-(1H-pyrazole-4-carbonylamino)pentanoic acid is CCC(C)C(NC(=O)c1cn[nH]c1)C(=O)O.
What is the InChIKey of 3-methyl-2-(1H-pyrazole-4-carbonylamino)pentanoic acid?
The InChIKey is WGZZXXYCHWVGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-6(2)8(10(15)16)13-9(14)7-4-11-12-5-7/h4-6,8H,3H2,1-2H3,(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 3-methyl-2-(1H-pyrazole-4-carbonylamino)pentanoic acid?
3-methyl-2-(1H-pyrazole-4-carbonylamino)pentanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1H-pyrazole-4-carbonylamino)pentanoic acid is sourced from PubChem (CID 43565598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).