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

C14H15N3O3 — CID 661242

IUPAC5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H15N3O3/c18-13(7-4-8-14(19)20)15-12-9-10-17(16-12)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,19,20)(H,15,16,18)
InChIKeyYNQAGIYFVKNTDS-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.07
Rot. Bonds6

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

5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid (PubChem CID 661242) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid
PubChem CID661242
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H15N3O3/c18-13(7-4-8-14(19)20)15-12-9-10-17(16-12)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,19,20)(H,15,16,18)
InChIKeyYNQAGIYFVKNTDS-UHFFFAOYSA-N
XLogP2.07
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.07
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
N-(1-Phenyl-1H-pyrazol-3-yl)acetamide
CID 594242
5-oxo-5-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]anilino}pentanoic acid
CID 2812271
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
3-oxo-N-(1-phenyl-1H-pyrazol-3-yl)butanamide
CID 778688
(E)-4-oxo-4-[(2-phenylpyrazol-3-yl)amino]but-2-enoic acid
CID 5909205
3-Ureido-1-phenylpyrazole
CID 129786672

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid?
The IUPAC name of 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid (CID 661242) is 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid is O=C(O)CCCC(=O)Nc1ccn(-c2ccccc2)n1.
What is the InChIKey of 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid?
The InChIKey is YNQAGIYFVKNTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13(7-4-8-14(19)20)15-12-9-10-17(16-12)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,19,20)(H,15,16,18).
What are the key properties of 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid?
5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]pentanoic acid is sourced from PubChem (CID 661242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).