3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide

C21H23N3O2 — CID 19330904

IUPAC3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCc1ccc(OCc2cccc(C(=O)NCc3ccn(C)n3)c2)c(C)c1
InChIInChI=1S/C21H23N3O2/c1-15-7-8-20(16(2)11-15)26-14-17-5-4-6-18(12-17)21(25)22-13-19-9-10-24(3)23-19/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyLHFXTPHAZHJRDZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.55
Rot. Bonds6

About 3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide

3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 19330904) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID19330904
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCc1ccc(OCc2cccc(C(=O)NCc3ccn(C)n3)c2)c(C)c1
InChIInChI=1S/C21H23N3O2/c1-15-7-8-20(16(2)11-15)26-14-17-5-4-6-18(12-17)21(25)22-13-19-9-10-24(3)23-19/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyLHFXTPHAZHJRDZ-UHFFFAOYSA-N
XLogP3.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329189
3-[(2,4-dimethylphenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292623
3-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329169
3-[(2,4-dimethylphenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323834
3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452211
3-[(2,4-dimethylphenoxy)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290281
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[(2,4-dimethylphenoxy)methyl]benzamide
CID 19282912
3-[(4-chloro-2-methylphenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 19288491
3-[(2,4-dimethylphenoxy)methyl]-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]benzamide
CID 19295755
3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
3-[(2,4-dimethylphenoxy)methyl]-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411053

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 19330904) is 3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide is Cc1ccc(OCc2cccc(C(=O)NCc3ccn(C)n3)c2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is LHFXTPHAZHJRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-7-8-20(16(2)11-15)26-14-17-5-4-6-18(12-17)21(25)22-13-19-9-10-24(3)23-19/h4-12H,13-14H2,1-3H3,(H,22,25).
What are the key properties of 3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19330904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).