3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid

C18H23N3O3 — CID 119139749

IUPAC3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid
SMILESCC(NC(=O)CC(C)(C)CC(=O)O)c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H23N3O3/c1-13(20-16(22)11-18(2,3)12-17(23)24)14-6-4-7-15(10-14)21-9-5-8-19-21/h4-10,13H,11-12H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyAOCIPUGPUFXWQU-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.94
Rot. Bonds7

About 3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid

3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid (PubChem CID 119139749) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid
PubChem CID119139749
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid
SMILESCC(NC(=O)CC(C)(C)CC(=O)O)c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H23N3O3/c1-13(20-16(22)11-18(2,3)12-17(23)24)14-6-4-7-15(10-14)21-9-5-8-19-21/h4-10,13H,11-12H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyAOCIPUGPUFXWQU-UHFFFAOYSA-N
XLogP2.94
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]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-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
5-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 81369534
5-[[(1R)-1-(3-bromophenyl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 81372143
N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-pyridin-2-ylpropanamide
CID 95906018
5-[1-(3-methoxyphenyl)ethylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 61058990
3,3-dimethyl-5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407118
(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95933671
3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001
2-indazol-1-yl-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 95906025
3-(4-methylpyrazol-1-yl)-N-[(1R)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95906003
2-indazol-1-yl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 95906024
N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 95906052

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid?
The IUPAC name of 3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid (CID 119139749) is 3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid is CC(NC(=O)CC(C)(C)CC(=O)O)c1cccc(-n2cccn2)c1.
What is the InChIKey of 3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid?
The InChIKey is AOCIPUGPUFXWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(20-16(22)11-18(2,3)12-17(23)24)14-6-4-7-15(10-14)21-9-5-8-19-21/h4-10,13H,11-12H2,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid?
3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-oxo-5-[1-(3-pyrazol-1-ylphenyl)ethylamino]pentanoic acid is sourced from PubChem (CID 119139749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).