5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid

C18H21N3O3 — CID 2812804

IUPAC5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid
SMILESCn1nc(C2CC2)cc1NC(=O)CC(CC(=O)O)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-21-16(11-15(20-21)13-7-8-13)19-17(22)9-14(10-18(23)24)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,19,22)(H,23,24)
InChIKeyFTOSQWOFUTXEBS-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.88
Rot. Bonds7

About 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid

5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid (PubChem CID 2812804) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid.

Molecular Properties

Compound Name5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid
PubChem CID2812804
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid
SMILESCn1nc(C2CC2)cc1NC(=O)CC(CC(=O)O)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-21-16(11-15(20-21)13-7-8-13)19-17(22)9-14(10-18(23)24)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,19,22)(H,23,24)
InChIKeyFTOSQWOFUTXEBS-UHFFFAOYSA-N
XLogP2.88
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.88
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
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
3-methyl-2-(2-methylpropyl)-5-oxo-5-[(1-phenyl-1H-pyrazol-3-yl)amino]pentanoic acid
CID 658611
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)cyclohexanecarboxamide
CID 2815261

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid?
The IUPAC name of 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid (CID 2812804) is 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid.
What is the SMILES notation for 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid?
The canonical SMILES for 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid is Cn1nc(C2CC2)cc1NC(=O)CC(CC(=O)O)c1ccccc1.
What is the InChIKey of 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid?
The InChIKey is FTOSQWOFUTXEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21-16(11-15(20-21)13-7-8-13)19-17(22)9-14(10-18(23)24)12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid?
5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid has a molecular weight of 327.38 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-5-oxo-3-phenylpentanoic acid is sourced from PubChem (CID 2812804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).