2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid

C15H19N3O2 — CID 102354187

IUPAC2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1nc(-c2ccccc2)cc1N
InChIInChI=1S/C15H19N3O2/c1-10(2)8-13(15(19)20)18-14(16)9-12(17-18)11-6-4-3-5-7-11/h3-7,9-10,13H,8,16H2,1-2H3,(H,19,20)
InChIKeyJQNRNPGFSSQXJG-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.80
Rot. Bonds5

About 2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid

2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid (PubChem CID 102354187) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid
PubChem CID102354187
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid
SMILESCC(C)CC(C(=O)O)n1nc(-c2ccccc2)cc1N
InChIInChI=1S/C15H19N3O2/c1-10(2)8-13(15(19)20)18-14(16)9-12(17-18)11-6-4-3-5-7-11/h3-7,9-10,13H,8,16H2,1-2H3,(H,19,20)
InChIKeyJQNRNPGFSSQXJG-UHFFFAOYSA-N
XLogP2.80
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-oxo-3-phenylpyridazin-1-yl)butanedioic acid
CID 77106165
ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate
CID 820314
phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone
CID 134910036
1-propan-2-yl-3-pyridin-4-ylpyrazol-5-amine
CID 67496076
2-(5-amino-3-tert-butylpyrazol-1-yl)-3-phenylpropanoic acid
CID 102354192
(2R)-2-[(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-4-methylpentanamide
CID 56884809
4-methyl-2-[(3-phenyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119188577
bis(4-methyl-2-propan-2-ylpentyl) 2-(4-phenylimidazol-1-yl)butanedioate
CID 122216214
3-(4-methylphenyl)-1-pentan-3-ylpyrazol-5-amine
CID 61271886
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid
CID 12029595
(2S)-4-methyl-2-(5-methyltetrazol-1-yl)pentanoic acid
CID 94969962

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid?
The IUPAC name of 2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid (CID 102354187) is 2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid?
The canonical SMILES for 2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid is CC(C)CC(C(=O)O)n1nc(-c2ccccc2)cc1N.
What is the InChIKey of 2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid?
The InChIKey is JQNRNPGFSSQXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)8-13(15(19)20)18-14(16)9-12(17-18)11-6-4-3-5-7-11/h3-7,9-10,13H,8,16H2,1-2H3,(H,19,20).
What are the key properties of 2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid?
2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid has a molecular weight of 273.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-phenylpyrazol-1-yl)-4-methylpentanoic acid is sourced from PubChem (CID 102354187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).