(3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide

C17H21N5O2 — CID 96540089

IUPAC(3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
SMILESCc1ccccc1-n1nccc1NC(=O)[C@@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C17H21N5O2/c1-12-5-2-3-7-14(12)22-15(8-9-19-22)20-16(23)13-6-4-10-21(11-13)17(18)24/h2-3,5,7-9,13H,4,6,10-11H2,1H3,(H2,18,24)(H,20,23)/t13-/m1/s1
InChIKeyJXBMXCBXPLDTMQ-CYBMUJFWSA-N
MW327.39 g/mol
LogP1.91
Rot. Bonds3

About (3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide

(3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide (PubChem CID 96540089) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
PubChem CID96540089
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
SMILESCc1ccccc1-n1nccc1NC(=O)[C@@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C17H21N5O2/c1-12-5-2-3-7-14(12)22-15(8-9-19-22)20-16(23)13-6-4-10-21(11-13)17(18)24/h2-3,5,7-9,13H,4,6,10-11H2,1H3,(H2,18,24)(H,20,23)/t13-/m1/s1
InChIKeyJXBMXCBXPLDTMQ-CYBMUJFWSA-N
XLogP1.91
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide 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

3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclohexane-1-carboxamide
CID 119822944
3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 119822942
N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119346019
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
2-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 75442974
N-(2-aminoethyl)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
CID 120837287
(3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
CID 124735992
3-N-[2-(methylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 43022872
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071
(3S)-3-[2-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 97281709
cis-(1R,2S)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 96539720

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide (CID 96540089) is (3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide is Cc1ccccc1-n1nccc1NC(=O)[C@@H]1CCCN(C(N)=O)C1.
What is the InChIKey of (3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide?
The InChIKey is JXBMXCBXPLDTMQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-5-2-3-7-14(12)22-15(8-9-19-22)20-16(23)13-6-4-10-21(11-13)17(18)24/h2-3,5,7-9,13H,4,6,10-11H2,1H3,(H2,18,24)(H,20,23)/t13-/m1/s1.
What are the key properties of (3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide?
(3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[2-(2-methylphenyl)pyrazol-3-yl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 96540089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).