N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C20H24ClN5OS — CID 120931761

IUPACN-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(n2cccn2)CCNCC1)c1nc(-c2ccccc2)cs1.Cl
InChIInChI=1S/C20H23N5OS.ClH/c1-15(18-24-17(14-27-18)16-6-3-2-4-7-16)23-19(26)20(8-11-21-12-9-20)25-13-5-10-22-25;/h2-7,10,13-15,21H,8-9,11-12H2,1H3,(H,23,26);1H
InChIKeyZZIULYTZVIAEER-UHFFFAOYSA-N
MW417.97 g/mol
LogP3.38
Rot. Bonds5

About N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120931761) has the molecular formula C20H24ClN5OS and a molecular weight of 417.97 g/mol. Its IUPAC name is N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120931761
Molecular FormulaC20H24ClN5OS
Molecular Weight417.97 g/mol
Exact Mass417.14
IUPAC NameN-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)C1(n2cccn2)CCNCC1)c1nc(-c2ccccc2)cs1.Cl
InChIInChI=1S/C20H23N5OS.ClH/c1-15(18-24-17(14-27-18)16-6-3-2-4-7-16)23-19(26)20(8-11-21-12-9-20)25-13-5-10-22-25;/h2-7,10,13-15,21H,8-9,11-12H2,1H3,(H,23,26);1H
InChIKeyZZIULYTZVIAEER-UHFFFAOYSA-N
XLogP3.38
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.97
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 119778960
N-[1-(1-benzothiophen-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931578
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919934
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120941226
N-[1-(2-methoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918589
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922512
N-[1-(4-ethylphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918940
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936430
N-[1-[4-(carbamoylamino)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924049
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918387
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120936431
N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926238

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120931761) is N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CC(NC(=O)C1(n2cccn2)CCNCC1)c1nc(-c2ccccc2)cs1.Cl.
What is the InChIKey of N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ZZIULYTZVIAEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS.ClH/c1-15(18-24-17(14-27-18)16-6-3-2-4-7-16)23-19(26)20(8-11-21-12-9-20)25-13-5-10-22-25;/h2-7,10,13-15,21H,8-9,11-12H2,1H3,(H,23,26);1H.
What are the key properties of N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 417.97 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120931761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).