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

C21H23N3O3 — CID 19405069

IUPAC3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccn(C)n2)cc1COc1cc(C)ccc1C
InChIInChI=1S/C21H23N3O3/c1-14-5-6-15(2)19(11-14)27-13-17-12-16(7-8-18(17)26-4)21(25)22-20-9-10-24(3)23-20/h5-12H,13H2,1-4H3,(H,22,23,25)
InChIKeyXLYYHSPPSBMULY-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.88
Rot. Bonds6

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

3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 19405069) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID19405069
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccn(C)n2)cc1COc1cc(C)ccc1C
InChIInChI=1S/C21H23N3O3/c1-14-5-6-15(2)19(11-14)27-13-17-12-16(7-8-18(17)26-4)21(25)22-20-9-10-24(3)23-20/h5-12H,13H2,1-4H3,(H,22,23,25)
InChIKeyXLYYHSPPSBMULY-UHFFFAOYSA-N
XLogP3.88
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410996
3-amino-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 60808969
N-[2-(4-chloropyrazol-1-yl)ethyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxybenzamide
CID 19283421
N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxybenzamide
CID 19282019
2-(3-methoxy-4-methylphenyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 16622145
3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19290435
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxybenzamide
CID 19323074
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
4-methoxy-N-(1-methylpyrazol-3-yl)-3-phenylbenzamide
CID 49320232
3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400902
3-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide
CID 19467140
2,4-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
CID 19405127

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide (CID 19405069) is 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide is COc1ccc(C(=O)Nc2ccn(C)n2)cc1COc1cc(C)ccc1C.
What is the InChIKey of 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is XLYYHSPPSBMULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-5-6-15(2)19(11-14)27-13-17-12-16(7-8-18(17)26-4)21(25)22-20-9-10-24(3)23-20/h5-12H,13H2,1-4H3,(H,22,23,25).
What are the key properties of 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide?
3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 19405069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).