N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride

C17H20ClF3N4O — CID 120573393

IUPACN-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1.Cl
InChIInChI=1S/C17H19F3N4O.ClH/c1-11-14(6-3-8-21-11)22-16(25)15-7-9-24(23-15)13-5-2-4-12(10-13)17(18,19)20;/h2,4-5,7,9-11,14,21H,3,6,8H2,1H3,(H,22,25);1H
InChIKeyJXTRUSYXENKPPY-UHFFFAOYSA-N
MW388.82 g/mol
LogP3.18
Rot. Bonds3

About N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride

N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride (PubChem CID 120573393) has the molecular formula C17H20ClF3N4O and a molecular weight of 388.82 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
PubChem CID120573393
Molecular FormulaC17H20ClF3N4O
Molecular Weight388.82 g/mol
Exact Mass388.13
IUPAC NameN-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1.Cl
InChIInChI=1S/C17H19F3N4O.ClH/c1-11-14(6-3-8-21-11)22-16(25)15-7-9-24(23-15)13-5-2-4-12(10-13)17(18,19)20;/h2,4-5,7,9-11,14,21H,3,6,8H2,1H3,(H,22,25);1H
InChIKeyJXTRUSYXENKPPY-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
CID 119504404
1-(2,6-dichloro-4-nitrophenyl)-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide
CID 120573386
N-[2-(methylamino)ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 119504405
2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride
CID 120576916
3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 120576442
N-(1H-pyrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 56793948
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone;hydrochloride
CID 119376941
3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid
CID 119211933
(3-hydroxypiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 111435912
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 124692654
6-methyl-1-[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 122113523

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride (CID 120573393) is N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride is CC1NCCCC1NC(=O)c1ccn(-c2cccc(C(F)(F)F)c2)n1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is JXTRUSYXENKPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O.ClH/c1-11-14(6-3-8-21-11)22-16(25)15-7-9-24(23-15)13-5-2-4-12(10-13)17(18,19)20;/h2,4-5,7,9-11,14,21H,3,6,8H2,1H3,(H,22,25);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 388.82 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120573393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).