4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid

C13H21N3O3 — CID 119357108

IUPAC4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CCCn1cccn1
InChIInChI=1S/C13H21N3O3/c1-13(2,7-6-12(18)19)15-11(17)5-3-9-16-10-4-8-14-16/h4,8,10H,3,5-7,9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNCSYOHUNQKZPMR-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.42
Rot. Bonds8

About 4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid

4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid (PubChem CID 119357108) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid
PubChem CID119357108
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CCCn1cccn1
InChIInChI=1S/C13H21N3O3/c1-13(2,7-6-12(18)19)15-11(17)5-3-9-16-10-4-8-14-16/h4,8,10H,3,5-7,9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNCSYOHUNQKZPMR-UHFFFAOYSA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-4-(4-pyrazol-1-ylbutanoylamino)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

N-(4-hydroxy-2-methylbutan-2-yl)-3-pyrazol-1-ylpropanamide
CID 115870093
3,3,3-trifluoro-2-methyl-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid
CID 79795735
9-pyrazol-1-ylnonanoic acid;hydrate
CID 67940849
4-methyl-4-(4-phenoxybutanoylamino)pentanoic acid
CID 62041775
4-[3-(ethylamino)propanoylamino]-4-methylpentanoic acid
CID 62836158
4-oxo-4-(2-pyrazol-1-ylethylamino)butanoic acid
CID 61460027
4-(5-methoxypentanoylamino)-4-methylpentanoic acid
CID 119203844
4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid
CID 119203940
4-[(4-pyrazol-1-ylbutanoylamino)methyl]benzoic acid
CID 119353286
5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid
CID 82854624
2-ethyl-2-(methylamino)-5-pyrazol-1-ylpentanoic acid
CID 106806593
4-(methylamino)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 115738303

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid?
The IUPAC name of 4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid (CID 119357108) is 4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid is CC(C)(CCC(=O)O)NC(=O)CCCn1cccn1.
What is the InChIKey of 4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid?
The InChIKey is NCSYOHUNQKZPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(2,7-6-12(18)19)15-11(17)5-3-9-16-10-4-8-14-16/h4,8,10H,3,5-7,9H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid?
4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(4-pyrazol-1-ylbutanoylamino)pentanoic acid is sourced from PubChem (CID 119357108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).