5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid

C17H21N3O3 — CID 4561257

IUPAC5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid
SMILESCCCC(CCC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C17H21N3O3/c1-2-6-13(17(22)23)9-10-16(21)18-15-11-12-20(19-15)14-7-4-3-5-8-14/h3-5,7-8,11-13H,2,6,9-10H2,1H3,(H,22,23)(H,18,19,21)
InChIKeyBOFKKFJIDCHDRH-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.09
Rot. Bonds8

About 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid

5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid (PubChem CID 4561257) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid
PubChem CID4561257
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid
SMILESCCCC(CCC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C17H21N3O3/c1-2-6-13(17(22)23)9-10-16(21)18-15-11-12-20(19-15)14-7-4-3-5-8-14/h3-5,7-8,11-13H,2,6,9-10H2,1H3,(H,22,23)(H,18,19,21)
InChIKeyBOFKKFJIDCHDRH-UHFFFAOYSA-N
XLogP3.09
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.09
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-phenyl-N-(1-phenylpyrazol-3-yl)acetamide
CID 110472142
2-methyl-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134589079
(2S)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134589089
(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 134596218
(2R)-2-phenyl-N-(1-phenylpyrazol-3-yl)propanamide
CID 134596221
2-{4-oxo-4-[(1-phenyl-1H-pyrazol-3-yl)amino]butan-2-yl}hexanoic acid
CID 657765
5-[(1-methyl-1H-pyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid
CID 2812991
2-Ethyl-4-(1-phenyl-1H-pyrazol-3-ylcarbamoyl)-butyric acid
CID 655766

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid?
The IUPAC name of 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid (CID 4561257) is 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid.
What is the SMILES notation for 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid?
The canonical SMILES for 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid is CCCC(CCC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid?
The InChIKey is BOFKKFJIDCHDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-6-13(17(22)23)9-10-16(21)18-15-11-12-20(19-15)14-7-4-3-5-8-14/h3-5,7-8,11-13H,2,6,9-10H2,1H3,(H,22,23)(H,18,19,21).
What are the key properties of 5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid?
5-oxo-5-[(1-phenylpyrazol-3-yl)amino]-2-propylpentanoic acid has a molecular weight of 315.37 g/mol, XLogP of 3.09, 8 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]-2-propylpentanoic acid is sourced from PubChem (CID 4561257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).