N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide

C20H20ClN3O — CID 55594648

IUPACN-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C20H20ClN3O/c1-2-23(14-17-5-3-6-19(21)13-17)20(25)18-9-7-16(8-10-18)15-24-12-4-11-22-24/h3-13H,2,14-15H2,1H3
InChIKeyWSKXRDCQLRITOB-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.25
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide

N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 55594648) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID55594648
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC NameN-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C20H20ClN3O/c1-2-23(14-17-5-3-6-19(21)13-17)20(25)18-9-7-16(8-10-18)15-24-12-4-11-22-24/h3-13H,2,14-15H2,1H3
InChIKeyWSKXRDCQLRITOB-UHFFFAOYSA-N
XLogP4.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 166191819
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 38807472
3-chloro-N'-[4-(pyrazol-1-ylmethyl)benzoyl]benzohydrazide
CID 17468530
3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61104847
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 135667533
N-[(3-chlorophenyl)methyl]-N-ethyl-2-fluoropyridine-3-carboxamide
CID 107358643
N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide
CID 91782708
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55502855
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide
CID 24545195
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55533166
N-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
CID 55593852

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide (CID 55594648) is N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide is CCN(Cc1cccc(Cl)c1)C(=O)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is WSKXRDCQLRITOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-2-23(14-17-5-3-6-19(21)13-17)20(25)18-9-7-16(8-10-18)15-24-12-4-11-22-24/h3-13H,2,14-15H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide?
N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 353.85 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 55594648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).