(2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid

C18H21N3O3 — CID 122115467

IUPAC(2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCC[C@@H](C(=O)O)[C@H]2C)nn1-c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-12-11-16(19-21(12)14-7-4-3-5-8-14)17(22)20-10-6-9-15(13(20)2)18(23)24/h3-5,7-8,11,13,15H,6,9-10H2,1-2H3,(H,23,24)/t13-,15-/m1/s1
InChIKeyIWQGNUNXVWAHMY-UKRRQHHQSA-N
MW327.38 g/mol
LogP2.51
Rot. Bonds3

About (2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid

(2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122115467) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID122115467
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCC[C@@H](C(=O)O)[C@H]2C)nn1-c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-12-11-16(19-21(12)14-7-4-3-5-8-14)17(22)20-10-6-9-15(13(20)2)18(23)24/h3-5,7-8,11,13,15H,6,9-10H2,1-2H3,(H,23,24)/t13-,15-/m1/s1
InChIKeyIWQGNUNXVWAHMY-UKRRQHHQSA-N
XLogP2.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone
CID 55758691
(2R)-1-[5-methyl-1-(4-methylphenyl)pyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 120537361
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698662
(2R,3R)-2-methyl-1-(4-pyrazol-1-ylpyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 122116403
(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116461
(2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 122115093
1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 120514979
(2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 122114653
(2R,3R)-1-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115846
[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]methanone
CID 110000383
[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110372815

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid (CID 122115467) is (2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid is Cc1cc(C(=O)N2CCC[C@@H](C(=O)O)[C@H]2C)nn1-c1ccccc1.
What is the InChIKey of (2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is IWQGNUNXVWAHMY-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-11-16(19-21(12)14-7-4-3-5-8-14)17(22)20-10-6-9-15(13(20)2)18(23)24/h3-5,7-8,11,13,15H,6,9-10H2,1-2H3,(H,23,24)/t13-,15-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid?
(2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122115467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).