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

C20H24ClN5OS — CID 120918387

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1csc(-c2ccccc2)n1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C20H23N5OS.ClH/c26-19(20(8-12-21-13-9-20)25-14-4-10-23-25)22-11-7-17-15-27-18(24-17)16-5-2-1-3-6-16;/h1-6,10,14-15,21H,7-9,11-13H2,(H,22,26);1H
InChIKeyUSNSZQWJRWBYHW-UHFFFAOYSA-N
MW417.97 g/mol
LogP2.87
Rot. Bonds6

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

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120918387) has the molecular formula C20H24ClN5OS and a molecular weight of 417.97 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120918387
Molecular FormulaC20H24ClN5OS
Molecular Weight417.97 g/mol
Exact Mass417.14
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1csc(-c2ccccc2)n1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C20H23N5OS.ClH/c26-19(20(8-12-21-13-9-20)25-14-4-10-23-25)22-11-7-17-15-27-18(24-17)16-5-2-1-3-6-16;/h1-6,10,14-15,21H,7-9,11-13H2,(H,22,26);1H
InChIKeyUSNSZQWJRWBYHW-UHFFFAOYSA-N
XLogP2.87
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.97
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-phenylpyrazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929723
N-[2-oxo-2-(2-phenylethylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120929101
1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119266965
N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918777
N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924924
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120941529
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938055
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 119266960
N-[2-(benzenesulfonamido)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921380
N-[(5-bromothiophen-3-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120925468
N-[(1-benzylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924950
3-benzyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]azetidine-3-carboxamide
CID 166613539

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120918387) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cl.O=C(NCCc1csc(-c2ccccc2)n1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is USNSZQWJRWBYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS.ClH/c26-19(20(8-12-21-13-9-20)25-14-4-10-23-25)22-11-7-17-15-27-18(24-17)16-5-2-1-3-6-16;/h1-6,10,14-15,21H,7-9,11-13H2,(H,22,26);1H.
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 417.97 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120918387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).