2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C21H23N3O4 — CID 55954518

IUPAC2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(Cn3cccn3)c2)c(OC)c1OC
InChIInChI=1S/C21H23N3O4/c1-26-18-9-8-17(19(27-2)20(18)28-3)21(25)22-13-15-6-4-7-16(12-15)14-24-11-5-10-23-24/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyNGUKLANQPGXJIY-UHFFFAOYSA-N
MW381.43 g/mol
LogP2.89
Rot. Bonds8

About 2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 55954518) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID55954518
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(Cn3cccn3)c2)c(OC)c1OC
InChIInChI=1S/C21H23N3O4/c1-26-18-9-8-17(19(27-2)20(18)28-3)21(25)22-13-15-6-4-7-16(12-15)14-24-11-5-10-23-24/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyNGUKLANQPGXJIY-UHFFFAOYSA-N
XLogP2.89
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyphenoxy)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954266
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 25404296
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954270
4-bromo-2-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953897
1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87035704
2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55814732
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
(E)-3-(2,3-dimethoxyphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 16572112
N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 86855433
2,4-dimethoxy-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 110763343
(2S)-2-amino-3,3-dimethyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119744700
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 55954518) is 2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2cccc(Cn3cccn3)c2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is NGUKLANQPGXJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-26-18-9-8-17(19(27-2)20(18)28-3)21(25)22-13-15-6-4-7-16(12-15)14-24-11-5-10-23-24/h4-12H,13-14H2,1-3H3,(H,22,25).
What are the key properties of 2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 381.43 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55954518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).