3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid

C15H17N3O3 — CID 126840528

IUPAC3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H17N3O3/c1-11(8-15(20)21)7-14(19)17-12-9-16-18(10-12)13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,17,19)(H,20,21)
InChIKeyKTNGKZAXWVJQGF-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.31
Rot. Bonds6

About 3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid

3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid (PubChem CID 126840528) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid
PubChem CID126840528
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H17N3O3/c1-11(8-15(20)21)7-14(19)17-12-9-16-18(10-12)13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,17,19)(H,20,21)
InChIKeyKTNGKZAXWVJQGF-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxycyclopentyl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 111432531
2-(1,5-dimethylpyrazol-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 146125663
2-(2-methoxyethylamino)-N-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
CID 119753037
(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
CID 7316708
4-[4-[(2-methoxyacetyl)amino]pyrazol-1-yl]-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 25296478
3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid
CID 62964862
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide
CID 119753020
N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
CID 26275525
3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 65236429
(3S)-3-acetamido-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 63650204
N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide
CID 86802727

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid (CID 126840528) is 3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid is CC(CC(=O)O)CC(=O)Nc1cnn(-c2ccccc2)c1.
What is the InChIKey of 3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid?
The InChIKey is KTNGKZAXWVJQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11(8-15(20)21)7-14(19)17-12-9-16-18(10-12)13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid?
3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-[(1-phenylpyrazol-4-yl)amino]pentanoic acid is sourced from PubChem (CID 126840528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).