4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride

C17H20ClF3N4O2 — CID 120920544

IUPAC4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OCC(F)(F)F)cc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H19F3N4O2.ClH/c18-17(19,20)12-26-14-4-2-13(3-5-14)23-15(25)16(6-9-21-10-7-16)24-11-1-8-22-24;/h1-5,8,11,21H,6-7,9-10,12H2,(H,23,25);1H
InChIKeyHSUZVIBVIKRIDW-UHFFFAOYSA-N
MW404.82 g/mol
LogP2.96
Rot. Bonds5

About 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride

4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120920544) has the molecular formula C17H20ClF3N4O2 and a molecular weight of 404.82 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120920544
Molecular FormulaC17H20ClF3N4O2
Molecular Weight404.82 g/mol
Exact Mass404.12
IUPAC Name4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(OCC(F)(F)F)cc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H19F3N4O2.ClH/c18-17(19,20)12-26-14-4-2-13(3-5-14)23-15(25)16(6-9-21-10-7-16)24-11-1-8-22-24;/h1-5,8,11,21H,6-7,9-10,12H2,(H,23,25);1H
InChIKeyHSUZVIBVIKRIDW-UHFFFAOYSA-N
XLogP2.96
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.82
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935836
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925648
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931422
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920388
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988
methyl 2-[[4-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]benzoyl]amino]acetate
CID 120919843
4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
CID 120924691
N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918139
N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923034

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride (CID 120920544) is 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(OCC(F)(F)F)cc1)C1(n2cccn2)CCNCC1.
What is the InChIKey of 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is HSUZVIBVIKRIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2.ClH/c18-17(19,20)12-26-14-4-2-13(3-5-14)23-15(25)16(6-9-21-10-7-16)24-11-1-8-22-24;/h1-5,8,11,21H,6-7,9-10,12H2,(H,23,25);1H.
What are the key properties of 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 404.82 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120920544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).