5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid

C16H19N3O3 — CID 2812978

IUPAC5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid
SMILESCc1cc(NC(=O)CC(CC(=O)O)c2ccccc2)n(C)n1
InChIInChI=1S/C16H19N3O3/c1-11-8-14(19(2)18-11)17-15(20)9-13(10-16(21)22)12-6-4-3-5-7-12/h3-8,13H,9-10H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyNXUAEAVRSRHHMA-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.32
Rot. Bonds6

About 5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid

5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid (PubChem CID 2812978) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid.

Molecular Properties

Compound Name5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid
PubChem CID2812978
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid
SMILESCc1cc(NC(=O)CC(CC(=O)O)c2ccccc2)n(C)n1
InChIInChI=1S/C16H19N3O3/c1-11-8-14(19(2)18-11)17-15(20)9-13(10-16(21)22)12-6-4-3-5-7-12/h3-8,13H,9-10H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyNXUAEAVRSRHHMA-UHFFFAOYSA-N
XLogP2.32
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-5-[(1-methyl-1H-indazol-3-yl)amino]-5-oxopentanoic acid
CID 2809794
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
3,3-dimethyl-5-oxo-5-[(3-phenyl-1H-pyrazol-5-yl)amino]pentanoic acid
CID 2814387
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-[(1-methyl-1H-pyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid
CID 2812991
5-{[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]amino}-3,3-dimethyl-5-oxopentanoic acid
CID 2813983
5-{[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]amino}-5-oxopentanoic acid
CID 2813984
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

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid?
The IUPAC name of 5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid (CID 2812978) is 5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid.
What is the SMILES notation for 5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid?
The canonical SMILES for 5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid is Cc1cc(NC(=O)CC(CC(=O)O)c2ccccc2)n(C)n1.
What is the InChIKey of 5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid?
The InChIKey is NXUAEAVRSRHHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-8-14(19(2)18-11)17-15(20)9-13(10-16(21)22)12-6-4-3-5-7-12/h3-8,13H,9-10H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid?
5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid has a molecular weight of 301.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylpyrazol-3-yl)amino]-5-oxo-3-phenylpentanoic acid is sourced from PubChem (CID 2812978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).