3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide

C22H25N3O2 — CID 19290692

IUPAC3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
SMILESCCn1cc(CNC(=O)c2cccc(COc3cc(C)ccc3C)c2)cn1
InChIInChI=1S/C22H25N3O2/c1-4-25-14-19(13-24-25)12-23-22(26)20-7-5-6-18(11-20)15-27-21-10-16(2)8-9-17(21)3/h5-11,13-14H,4,12,15H2,1-3H3,(H,23,26)
InChIKeyUWOQFGQDDINVQQ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.03
Rot. Bonds7

About 3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide

3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide (PubChem CID 19290692) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
PubChem CID19290692
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
SMILESCCn1cc(CNC(=O)c2cccc(COc3cc(C)ccc3C)c2)cn1
InChIInChI=1S/C22H25N3O2/c1-4-25-14-19(13-24-25)12-23-22(26)20-7-5-6-18(11-20)15-27-21-10-16(2)8-9-17(21)3/h5-11,13-14H,4,12,15H2,1-3H3,(H,23,26)
InChIKeyUWOQFGQDDINVQQ-UHFFFAOYSA-N
XLogP4.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-bromophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290622
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(2,4,6-trichlorophenoxy)methyl]benzamide
CID 19290644
N-[(1-ethylpyrazol-4-yl)methyl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19290598
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19407721
3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397968
3-[(1-ethylpyrazol-4-yl)methoxy]-4-methylbenzoic acid
CID 55040942
3-[(4-bromopyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290716
N-[2-(4-bromopyrazol-1-yl)ethyl]-3-[(2,4-dimethylphenoxy)methyl]benzamide
CID 19282912
3-[(2-bromophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292346
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-[(4-chloro-2-methylphenoxy)methyl]benzamide
CID 19332939
3-[(2,4-dimethylphenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292623

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide (CID 19290692) is 3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide is CCn1cc(CNC(=O)c2cccc(COc3cc(C)ccc3C)c2)cn1.
What is the InChIKey of 3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is UWOQFGQDDINVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-25-14-19(13-24-25)12-23-22(26)20-7-5-6-18(11-20)15-27-21-10-16(2)8-9-17(21)3/h5-11,13-14H,4,12,15H2,1-3H3,(H,23,26).
What are the key properties of 3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 363.46 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 19290692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).