3,5-bis(2-methoxyphenyl)-1-methylpyrazole

C18H18N2O2 — CID 19586953

IUPAC3,5-bis(2-methoxyphenyl)-1-methylpyrazole
SMILESCOc1ccccc1-c1cc(-c2ccccc2OC)n(C)n1
InChIInChI=1S/C18H18N2O2/c1-20-16(14-9-5-7-11-18(14)22-3)12-15(19-20)13-8-4-6-10-17(13)21-2/h4-12H,1-3H3
InChIKeyXLDGJCDBUCUDAR-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.77
Rot. Bonds4

About 3,5-bis(2-methoxyphenyl)-1-methylpyrazole

3,5-bis(2-methoxyphenyl)-1-methylpyrazole (PubChem CID 19586953) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3,5-bis(2-methoxyphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name3,5-bis(2-methoxyphenyl)-1-methylpyrazole
PubChem CID19586953
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3,5-bis(2-methoxyphenyl)-1-methylpyrazole
SMILESCOc1ccccc1-c1cc(-c2ccccc2OC)n(C)n1
InChIInChI=1S/C18H18N2O2/c1-20-16(14-9-5-7-11-18(14)22-3)12-15(19-20)13-8-4-6-10-17(13)21-2/h4-12H,1-3H3
InChIKeyXLDGJCDBUCUDAR-UHFFFAOYSA-N
XLogP3.77
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methoxyphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827490
1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128496
4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444106
methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62267837
4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444114
3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19587078
1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71568812
2-[6-(2-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]acetyl chloride
CID 82444119
1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71568811
2-(2-methoxyphenyl)-1-methylpyrrole
CID 124706207
3-(2-methoxyphenyl)-1-phenylpyrazol-5-amine
CID 16770102
5-(2-methoxyphenyl)-2-methyl-3H-pyrazolo[5,1-e]pyrazole
CID 58282953

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methoxyphenyl)-1-methylpyrazole?
The IUPAC name of 3,5-bis(2-methoxyphenyl)-1-methylpyrazole (CID 19586953) is 3,5-bis(2-methoxyphenyl)-1-methylpyrazole.
What is the SMILES notation for 3,5-bis(2-methoxyphenyl)-1-methylpyrazole?
The canonical SMILES for 3,5-bis(2-methoxyphenyl)-1-methylpyrazole is COc1ccccc1-c1cc(-c2ccccc2OC)n(C)n1.
What is the InChIKey of 3,5-bis(2-methoxyphenyl)-1-methylpyrazole?
The InChIKey is XLDGJCDBUCUDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-20-16(14-9-5-7-11-18(14)22-3)12-15(19-20)13-8-4-6-10-17(13)21-2/h4-12H,1-3H3.
What are the key properties of 3,5-bis(2-methoxyphenyl)-1-methylpyrazole?
3,5-bis(2-methoxyphenyl)-1-methylpyrazole has a molecular weight of 294.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methoxyphenyl)-1-methylpyrazole is sourced from PubChem (CID 19586953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).