N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide

C17H20Cl2N4O — CID 120918668

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H20Cl2N4O/c1-22(12-13-3-4-14(18)15(19)11-13)16(24)17(5-8-20-9-6-17)23-10-2-7-21-23/h2-4,7,10-11,20H,5-6,8-9,12H2,1H3
InChIKeyWQSXJCXXXPORGU-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.93
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120918668) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120918668
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H20Cl2N4O/c1-22(12-13-3-4-14(18)15(19)11-13)16(24)17(5-8-20-9-6-17)23-10-2-7-21-23/h2-4,7,10-11,20H,5-6,8-9,12H2,1H3
InChIKeyWQSXJCXXXPORGU-UHFFFAOYSA-N
XLogP2.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918675
N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918265
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931021
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120929772
N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926302
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925548
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931181
N-(cyclopropylmethyl)-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926211
N-[2-(benzylamino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120934302
N-[(3-chloro-4-fluorophenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921977
N,N-diethyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917135
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120942474

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120918668) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is WQSXJCXXXPORGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c1-22(12-13-3-4-14(18)15(19)11-13)16(24)17(5-8-20-9-6-17)23-10-2-7-21-23/h2-4,7,10-11,20H,5-6,8-9,12H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 367.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120918668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).