5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole

C20H22N2O4 — CID 59301205

IUPAC5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)cc1C
InChIInChI=1S/C20H22N2O4/c1-12-8-13(6-7-17(12)23-2)15-11-16(22-21-15)14-9-18(24-3)20(26-5)19(10-14)25-4/h6-11H,1-5H3,(H,21,22)
InChIKeyDEBYZRYWZWAPAU-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.09
Rot. Bonds6

About 5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole

5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole (PubChem CID 59301205) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
PubChem CID59301205
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)cc1C
InChIInChI=1S/C20H22N2O4/c1-12-8-13(6-7-17(12)23-2)15-11-16(22-21-15)14-9-18(24-3)20(26-5)19(10-14)25-4/h6-11H,1-5H3,(H,21,22)
InChIKeyDEBYZRYWZWAPAU-UHFFFAOYSA-N
XLogP4.09
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole
CID 50962372
1-(2-chlorophenyl)-2,5-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]imidazole
CID 141454566
3-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357527
3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
CID 82446311
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 63047414
5,6-dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 136929746
2-methyl-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole
CID 82086470
6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30374320
3,6-bis(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridazine
CID 18874648

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole (CID 59301205) is 5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole is COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)n[nH]2)cc1C.
What is the InChIKey of 5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
The InChIKey is DEBYZRYWZWAPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12-8-13(6-7-17(12)23-2)15-11-16(22-21-15)14-9-18(24-3)20(26-5)19(10-14)25-4/h6-11H,1-5H3,(H,21,22).
What are the key properties of 5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole?
5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole has a molecular weight of 354.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 59301205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).