N-(3,4-dichlorophenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

C16H18Cl2N4O — CID 71781174

IUPACN-(3,4-dichlorophenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C16H18Cl2N4O/c17-14-3-2-13(10-15(14)18)20-16(23)21-8-4-12(5-9-21)11-22-7-1-6-19-22/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,20,23)
InChIKeyNRZRDZDHLSFGDM-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.13
Rot. Bonds3

About N-(3,4-dichlorophenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

N-(3,4-dichlorophenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 71781174) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID71781174
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC NameN-(3,4-dichlorophenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C16H18Cl2N4O/c17-14-3-2-13(10-15(14)18)20-16(23)21-8-4-12(5-9-21)11-22-7-1-6-19-22/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,20,23)
InChIKeyNRZRDZDHLSFGDM-UHFFFAOYSA-N
XLogP4.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 831809
N-(4-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 842009
N-(3,4-dichlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 897364
N-[2-[3-(3-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155518263
N-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155529309
N-[2-[3-(4-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155555275
1-(2-Cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea
CID 2103145
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide
CID 2809205
1-(3-Chloro-2-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 45821293
1-(3,4-Dichlorophenyl)-3-[1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 45877582
1-(4-Chloro-3-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47223568
N-(3-chlorophenyl)-4-[1-(4-fluorophenyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 53149315

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (CID 71781174) is N-(3,4-dichlorophenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is NRZRDZDHLSFGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c17-14-3-2-13(10-15(14)18)20-16(23)21-8-4-12(5-9-21)11-22-7-1-6-19-22/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,20,23).
What are the key properties of N-(3,4-dichlorophenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 353.25 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71781174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).