5-[(2-methylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid

C15H17N3O3 — CID 2812991

IUPAC5-[(2-methylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid
SMILESCn1nccc1NC(=O)CC(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-18-13(7-8-16-18)17-14(19)9-12(10-15(20)21)11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyGHUGHLWLVBGWOP-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.01
Rot. Bonds6

About 5-[(2-methylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid

5-[(2-methylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid (PubChem CID 2812991) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[(2-methylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid.

Molecular Properties

Compound Name5-[(2-methylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid
PubChem CID2812991
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-[(2-methylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid
SMILESCn1nccc1NC(=O)CC(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-18-13(7-8-16-18)17-14(19)9-12(10-15(20)21)11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,17,19)(H,20,21)
InChIKeyGHUGHLWLVBGWOP-UHFFFAOYSA-N
XLogP2.01
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-2-[4-oxo-4-[(1-phenylpyrazol-3-yl)amino]butan-2-yl]hexanoic acid
CID 3540028
2-[3-Oxo-3-[(1-phenylpyrazol-3-yl)amino]propyl]hexanoic acid
CID 3756553
5-[(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid
CID 2812804
5-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]-5-oxopentanoic acid
CID 2815262
2-{4-oxo-4-[(1-phenyl-1H-pyrazol-3-yl)amino]butan-2-yl}hexanoic acid
CID 657765
5-Oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid
CID 4561257
2-Ethyl-4-(1-phenyl-1H-pyrazol-3-ylcarbamoyl)-butyric acid
CID 655766
3-methyl-2-(2-methylpropyl)-5-oxo-5-[(1-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid
CID 658611
N-(2-methylpyrazol-3-yl)-3-phenylpropanamide
CID 2808909
N-(1-methylpyrazol-3-yl)-2,2-diphenylacetamide
CID 7614461
5-[(2,5-Dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid
CID 2812978
(1S)-2-methyl-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylcycloprop-2-ene-1-carboxamide
CID 52380566

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid?
The IUPAC name of 5-[(2-methylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid (CID 2812991) is 5-[(2-methylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid.
What is the SMILES notation for 5-[(2-methylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid?
The canonical SMILES for 5-[(2-methylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid is Cn1nccc1NC(=O)CC(CC(=O)O)c1ccccc1.
What is the InChIKey of 5-[(2-methylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid?
The InChIKey is GHUGHLWLVBGWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18-13(7-8-16-18)17-14(19)9-12(10-15(20)21)11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 5-[(2-methylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid?
5-[(2-methylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid is sourced from PubChem (CID 2812991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).