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

C22H25N3O4 — CID 19410996

IUPAC3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
SMILESCOCn1cc(NC(=O)c2ccc(OC)c(COc3cc(C)ccc3C)c2)cn1
InChIInChI=1S/C22H25N3O4/c1-15-5-6-16(2)21(9-15)29-13-18-10-17(7-8-20(18)28-4)22(26)24-19-11-23-25(12-19)14-27-3/h5-12H,13-14H2,1-4H3,(H,24,26)
InChIKeyGFMNBASDWXAVSX-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.94
Rot. Bonds8

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

3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide (PubChem CID 19410996) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
PubChem CID19410996
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
SMILESCOCn1cc(NC(=O)c2ccc(OC)c(COc3cc(C)ccc3C)c2)cn1
InChIInChI=1S/C22H25N3O4/c1-15-5-6-16(2)21(9-15)29-13-18-10-17(7-8-20(18)28-4)22(26)24-19-11-23-25(12-19)14-27-3/h5-12H,13-14H2,1-4H3,(H,24,26)
InChIKeyGFMNBASDWXAVSX-UHFFFAOYSA-N
XLogP3.94
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,4-dimethylphenoxy)methyl]-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411053
N-[2-(4-chloropyrazol-1-yl)ethyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxybenzamide
CID 19283421
3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-(1-methylpyrazol-3-yl)benzamide
CID 19405069
3-[(2,5-dimethylphenoxy)methyl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19290435
3-[(2,5-dimethylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide
CID 19467140
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxybenzamide
CID 19323074
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
N-[1-(ethoxymethyl)pyrazol-4-yl]-3,4-dimethylbenzamide
CID 19340608
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1-methylpyrazole-4-carboxamide
CID 19474706
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411114
3-[(2,5-dimethylphenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 19456382

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide (CID 19410996) is 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide is COCn1cc(NC(=O)c2ccc(OC)c(COc3cc(C)ccc3C)c2)cn1.
What is the InChIKey of 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
The InChIKey is GFMNBASDWXAVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-15-5-6-16(2)21(9-15)29-13-18-10-17(7-8-20(18)28-4)22(26)24-19-11-23-25(12-19)14-27-3/h5-12H,13-14H2,1-4H3,(H,24,26).
What are the key properties of 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide?
3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenoxy)methyl]-4-methoxy-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 19410996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).