1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid

C23H23N3O3 — CID 119168408

IUPAC1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C23H23N3O3/c1-17-20(16-26(24-17)19-10-6-3-7-11-19)21(27)25-14-12-23(13-15-25,22(28)29)18-8-4-2-5-9-18/h2-11,16H,12-15H2,1H3,(H,28,29)
InChIKeyQIEORCSARAZZFW-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.44
Rot. Bonds4

About 1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid

1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 119168408) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID119168408
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESCc1nn(-c2ccccc2)cc1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C23H23N3O3/c1-17-20(16-26(24-17)19-10-6-3-7-11-19)21(27)25-14-12-23(13-15-25,22(28)29)18-8-4-2-5-9-18/h2-11,16H,12-15H2,1H3,(H,28,29)
InChIKeyQIEORCSARAZZFW-UHFFFAOYSA-N
XLogP3.44
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

FK-352
CID 6442241
1H-Pyrazole-4-acetic acid, 1,3-diphenyl-
CID 2356939
1-(4-methylphenyl)-3-phenyl-1H-pyrazole-4-carboxylic acid
CID 2513400
1,3-diphenyl-1H-pyrazole-4-carboxylic acid
CID 847409
5-Cyclopropyl-1-[3-[3-(dimethylcarbamoyl)phenyl]phenyl]pyrazole-4-carboxylic acid
CID 157010570
5-cyclopropyl-1-[3-[2-fluoranyl-3-[(2~{R})-2-propylpiperidin-1-yl]carbonyl-phenyl]phenyl]pyrazole-4-carboxylic acid
CID 126754491
cis-3-[2-(2-Carboxymethylcyclohexyl)-3-oxo-2,3-dihydropyridazin-6-yl]-2-phenylpyrazolo[1,5-a]pyridine
CID 15522352
2-[(1S,2R)-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexyl]acetic acid
CID 15522353
5-Cyclopropyl-1-[3-[3-(2-propylpiperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
CID 126749382
5-cyclopropyl-1-[3-[2-fluoro-3-[(2S)-2-propylpiperidine-1-carbonyl]phenyl]phenyl]pyrazole-4-carboxylic acid
CID 126754509
5-cyclopropyl-1-[3-[(1R,3S)-3-(piperidine-1-carbonyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
CID 129024624
5-cyclopropyl-1-[3-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]phenyl]pyrazole-4-carboxylic acid
CID 129024671

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid (CID 119168408) is 1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid is Cc1nn(-c2ccccc2)cc1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is QIEORCSARAZZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-17-20(16-26(24-17)19-10-6-3-7-11-19)21(27)25-14-12-23(13-15-25,22(28)29)18-8-4-2-5-9-18/h2-11,16H,12-15H2,1H3,(H,28,29).
What are the key properties of 1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid?
1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 389.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-phenylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 119168408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).