N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C17H20ClF3N4O — CID 120920388

IUPACN-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1C(F)(F)F.Cl
InChIInChI=1S/C17H19F3N4O.ClH/c1-12-3-4-13(11-14(12)17(18,19)20)23-15(25)16(5-8-21-9-6-16)24-10-2-7-22-24;/h2-4,7,10-11,21H,5-6,8-9H2,1H3,(H,23,25);1H
InChIKeyQBUPTYJWKLZKPT-UHFFFAOYSA-N
MW388.82 g/mol
LogP3.35
Rot. Bonds3

About N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120920388) has the molecular formula C17H20ClF3N4O and a molecular weight of 388.82 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120920388
Molecular FormulaC17H20ClF3N4O
Molecular Weight388.82 g/mol
Exact Mass388.13
IUPAC NameN-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1C(F)(F)F.Cl
InChIInChI=1S/C17H19F3N4O.ClH/c1-12-3-4-13(11-14(12)17(18,19)20)23-15(25)16(5-8-21-9-6-16)24-10-2-7-22-24;/h2-4,7,10-11,21H,5-6,8-9H2,1H3,(H,23,25);1H
InChIKeyQBUPTYJWKLZKPT-UHFFFAOYSA-N
XLogP3.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(3-acetamido-4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921193
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930337
4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120920544
N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921641
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(3-chloro-4-pyrazol-1-ylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930811
4-pyrazol-1-yl-N-quinolin-6-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938699

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120920388) is N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1C(F)(F)F.Cl.
What is the InChIKey of N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is QBUPTYJWKLZKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O.ClH/c1-12-3-4-13(11-14(12)17(18,19)20)23-15(25)16(5-8-21-9-6-16)24-10-2-7-22-24;/h2-4,7,10-11,21H,5-6,8-9H2,1H3,(H,23,25);1H.
What are the key properties of N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 388.82 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120920388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).