N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide

C21H23N3O2 — CID 41358025

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C21H23N3O2/c1-16-5-10-20(26-3)19(13-16)15-23(2)21(25)18-8-6-17(7-9-18)14-24-12-4-11-22-24/h4-13H,14-15H2,1-3H3
InChIKeyQKTDLSGQLNDJRV-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.52
Rot. Bonds6

About N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide

N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 41358025) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID41358025
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C21H23N3O2/c1-16-5-10-20(26-3)19(13-16)15-23(2)21(25)18-8-6-17(7-9-18)14-24-12-4-11-22-24/h4-13H,14-15H2,1-3H3
InChIKeyQKTDLSGQLNDJRV-UHFFFAOYSA-N
XLogP3.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047303
(2,4-dimethylphenyl) 4-(pyrazol-1-ylmethyl)benzoate
CID 30002423
methyl 5-methyl-2-[4-(pyrazol-1-ylmethyl)benzoyl]oxybenzoate
CID 86890071
4-(ethylsulfamoyl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 9469873
N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55897549
2-(4-benzylpiperazin-1-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 30863225
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 25404296
N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 86855433
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
tert-butyl N-[4-[(2-methoxy-5-methylphenyl)methyl-methylcarbamoyl]phenyl]carbamate
CID 9469960
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18145614
2,3-dichloro-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylbenzamide
CID 18118556

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide (CID 41358025) is N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide is COc1ccc(C)cc1CN(C)C(=O)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is QKTDLSGQLNDJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-5-10-20(26-3)19(13-16)15-23(2)21(25)18-8-6-17(7-9-18)14-24-12-4-11-22-24/h4-13H,14-15H2,1-3H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide?
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 41358025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).