3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide

C20H21N3O3 — CID 39695125

IUPAC3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(Cn3cccn3)c2)cc(OC)c1C
InChIInChI=1S/C20H21N3O3/c1-14-18(25-2)11-16(12-19(14)26-3)20(24)22-17-7-4-6-15(10-17)13-23-9-5-8-21-23/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyMHMJNSHUZOWHQX-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.51
Rot. Bonds6

About 3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide

3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 39695125) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID39695125
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(Cn3cccn3)c2)cc(OC)c1C
InChIInChI=1S/C20H21N3O3/c1-14-18(25-2)11-16(12-19(14)26-3)20(24)22-17-7-4-6-15(10-17)13-23-9-5-8-21-23/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyMHMJNSHUZOWHQX-UHFFFAOYSA-N
XLogP3.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79272205
(E)-3-(2-methoxy-5-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]prop-2-enamide
CID 46424056
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 38585679
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39697430
1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87035704
3-bromo-5-methoxy-4-propoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55812552
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39694973
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
3-oxo-N-[3-(pyrazol-1-ylmethyl)phenyl]-4H-quinoxaline-6-carboxamide
CID 167797293
1-[(2-chloro-5-methylphenoxy)methyl]-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 19275649

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 39695125) is 3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide is COc1cc(C(=O)Nc2cccc(Cn3cccn3)c2)cc(OC)c1C.
What is the InChIKey of 3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is MHMJNSHUZOWHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-18(25-2)11-16(12-19(14)26-3)20(24)22-17-7-4-6-15(10-17)13-23-9-5-8-21-23/h4-12H,13H2,1-3H3,(H,22,24).
What are the key properties of 3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide?
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 39695125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).