3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid

C16H19N3O3 — CID 2814387

IUPAC3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C16H19N3O3/c1-16(2,10-15(21)22)9-14(20)17-13-8-12(18-19-13)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,21,22)(H2,17,18,19,20)
InChIKeyZWXLRFGRQXAUOF-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.91
Rot. Bonds6

About 3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid

3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid (PubChem CID 2814387) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid
PubChem CID2814387
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C16H19N3O3/c1-16(2,10-15(21)22)9-14(20)17-13-8-12(18-19-13)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,21,22)(H2,17,18,19,20)
InChIKeyZWXLRFGRQXAUOF-UHFFFAOYSA-N
XLogP2.91
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid?
The IUPAC name of 3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid (CID 2814387) is 3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid is CC(C)(CC(=O)O)CC(=O)Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid?
The InChIKey is ZWXLRFGRQXAUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-16(2,10-15(21)22)9-14(20)17-13-8-12(18-19-13)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,21,22)(H2,17,18,19,20).
What are the key properties of 3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid?
3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid has a molecular weight of 301.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-oxo-5-[(5-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid is sourced from PubChem (CID 2814387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).