(3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

C23H24ClN5O2 — CID 97044623

IUPAC(3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C1
InChIInChI=1S/C23H24ClN5O2/c24-19-5-3-16(4-6-19)7-12-26-22(30)18-2-1-13-29(15-18)23(31)21-14-20(27-28-21)17-8-10-25-11-9-17/h3-6,8-11,14,18H,1-2,7,12-13,15H2,(H,26,30)(H,27,28)/t18-/m0/s1
InChIKeyCWOMHFZDQYSJFC-SFHVURJKSA-N
MW437.93 g/mol
LogP3.34
Rot. Bonds6

About (3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

(3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 97044623) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is (3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
PubChem CID97044623
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name(3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C1
InChIInChI=1S/C23H24ClN5O2/c24-19-5-3-16(4-6-19)7-12-26-22(30)18-2-1-13-29(15-18)23(31)21-14-20(27-28-21)17-8-10-25-11-9-17/h3-6,8-11,14,18H,1-2,7,12-13,15H2,(H,26,30)(H,27,28)/t18-/m0/s1
InChIKeyCWOMHFZDQYSJFC-SFHVURJKSA-N
XLogP3.34
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-[(4-methoxyphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 97044631
(3R)-N-cycloheptyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 94080403
N-butan-2-yl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 50800008
1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid
CID 154743582
N-(2-aminoethyl)-1-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480157
(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081950
(3R)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081948
(3S)-N-[(4-fluorophenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069498
(3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 97044608
N-[2-(4-chlorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946563
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
(3S)-N-propyl-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 92751845

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (CID 97044623) is (3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cc(-c3ccncc3)n[nH]2)C1.
What is the InChIKey of (3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is CWOMHFZDQYSJFC-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c24-19-5-3-16(4-6-19)7-12-26-22(30)18-2-1-13-29(15-18)23(31)21-14-20(27-28-21)17-8-10-25-11-9-17/h3-6,8-11,14,18H,1-2,7,12-13,15H2,(H,26,30)(H,27,28)/t18-/m0/s1.
What are the key properties of (3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
(3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 97044623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).