(3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

C22H22ClN5O2 — CID 97044702

IUPAC(3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1
InChIInChI=1S/C22H22ClN5O2/c1-14-7-8-16(23)11-18(14)25-21(29)15-5-4-10-28(13-15)22(30)20-12-19(26-27-20)17-6-2-3-9-24-17/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H,25,29)(H,26,27)/t15-/m1/s1
InChIKeyTXWXUHAMZUSDCQ-OAHLLOKOSA-N
MW423.90 g/mol
LogP3.92
Rot. Bonds4

About (3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

(3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 97044702) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
PubChem CID97044702
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name(3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1
InChIInChI=1S/C22H22ClN5O2/c1-14-7-8-16(23)11-18(14)25-21(29)15-5-4-10-28(13-15)22(30)20-12-19(26-27-20)17-6-2-3-9-24-17/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H,25,29)(H,26,27)/t15-/m1/s1
InChIKeyTXWXUHAMZUSDCQ-OAHLLOKOSA-N
XLogP3.92
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799939
(3R)-N-propan-2-yl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892697
(3S)-N-cyclopropyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892702
(3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92751845
N-(2,5-dimethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 50799662
(3R)-N-(3-acetylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92875196
(3R)-N-(4-ethylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892685
(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92892680
N-[(4-methylphenyl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50799692
N-(5-chloro-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46650461
(3S)-N-(5-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 93069842
N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 46352054

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (CID 97044702) is (3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccn3)n[nH]2)C1.
What is the InChIKey of (3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is TXWXUHAMZUSDCQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-14-7-8-16(23)11-18(14)25-21(29)15-5-4-10-28(13-15)22(30)20-12-19(26-27-20)17-6-2-3-9-24-17/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H,25,29)(H,26,27)/t15-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
(3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-methylphenyl)-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 97044702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).