(2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide

C15H17ClN4O — CID 104913192

IUPAC(2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cccn1)[C@@H]1CCCCN1
InChIInChI=1S/C15H17ClN4O/c16-11-5-6-14(20-9-3-8-18-20)13(10-11)19-15(21)12-4-1-2-7-17-12/h3,5-6,8-10,12,17H,1-2,4,7H2,(H,19,21)/t12-/m0/s1
InChIKeySSDPTVSNIUBEGL-LBPRGKRZSA-N
MW304.78 g/mol
LogP2.61
Rot. Bonds3

About (2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide

(2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide (PubChem CID 104913192) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide
PubChem CID104913192
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cccn1)[C@@H]1CCCCN1
InChIInChI=1S/C15H17ClN4O/c16-11-5-6-14(20-9-3-8-18-20)13(10-11)19-15(21)12-4-1-2-7-17-12/h3,5-6,8-10,12,17H,1-2,4,7H2,(H,19,21)/t12-/m0/s1
InChIKeySSDPTVSNIUBEGL-LBPRGKRZSA-N
XLogP2.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 104912988
N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 60928453
(3R)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 81119455
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982635
N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186
(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide
CID 104914354
N-(6-chloroquinolin-8-yl)piperidine-2-carboxamide
CID 43698576
N-(5-chloro-2-nitrophenyl)azepane-2-carboxamide
CID 64563599
N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
CID 103515148
(2S)-N-[2-(1,2,4-triazol-1-yl)phenyl]piperidine-2-carboxamide
CID 104913002
(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119739823
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide (CID 104913192) is (2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide is O=C(Nc1cc(Cl)ccc1-n1cccn1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
The InChIKey is SSDPTVSNIUBEGL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-11-5-6-14(20-9-3-8-18-20)13(10-11)19-15(21)12-4-1-2-7-17-12/h3,5-6,8-10,12,17H,1-2,4,7H2,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide?
(2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 104913192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).