N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C19H25Cl3N4O — CID 120931395

IUPACN-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1(n2cccn2)CCNCC1)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C19H24Cl2N4O.ClH/c1-18(2,16-14(20)5-3-6-15(16)21)13-23-17(26)19(7-10-22-11-8-19)25-12-4-9-24-25;/h3-6,9,12,22H,7-8,10-11,13H2,1-2H3,(H,23,26);1H
InChIKeyYKFYIPAGNJYXLG-UHFFFAOYSA-N
MW431.80 g/mol
LogP3.78
Rot. Bonds5

About N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120931395) has the molecular formula C19H25Cl3N4O and a molecular weight of 431.80 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120931395
Molecular FormulaC19H25Cl3N4O
Molecular Weight431.80 g/mol
Exact Mass430.11
IUPAC NameN-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1(n2cccn2)CCNCC1)c1c(Cl)cccc1Cl.Cl
InChIInChI=1S/C19H24Cl2N4O.ClH/c1-18(2,16-14(20)5-3-6-15(16)21)13-23-17(26)19(7-10-22-11-8-19)25-12-4-9-24-25;/h3-6,9,12,22H,7-8,10-11,13H2,1-2H3,(H,23,26);1H
InChIKeyYKFYIPAGNJYXLG-UHFFFAOYSA-N
XLogP3.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.80
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926251
N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205
N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930429
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930774
4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
CID 120924691
N-(2-methoxy-2-methylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120933453
N-(2-ethyl-2-phenylbutyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935683
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929446
N-[2-(tert-butylamino)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919791
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
N-[(3-chloro-4-fluorophenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921977

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120931395) is N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CC(C)(CNC(=O)C1(n2cccn2)CCNCC1)c1c(Cl)cccc1Cl.Cl.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is YKFYIPAGNJYXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O.ClH/c1-18(2,16-14(20)5-3-6-15(16)21)13-23-17(26)19(7-10-22-11-8-19)25-12-4-9-24-25;/h3-6,9,12,22H,7-8,10-11,13H2,1-2H3,(H,23,26);1H.
What are the key properties of N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 431.80 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120931395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).