3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole

C25H24N2O2 — CID 19587307

IUPAC3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)c(-c3cccc(OC)c3)c2C)c1
InChIInChI=1S/C25H24N2O2/c1-17-11-13-21(14-12-17)27-25(20-8-6-10-23(16-20)29-4)18(2)24(26-27)19-7-5-9-22(15-19)28-3/h5-16H,1-4H3
InChIKeyYFPFLTPOCNUQEF-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.84
Rot. Bonds5

About 3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole

3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole (PubChem CID 19587307) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole
PubChem CID19587307
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole
SMILESCOc1cccc(-c2nn(-c3ccc(C)cc3)c(-c3cccc(OC)c3)c2C)c1
InChIInChI=1S/C25H24N2O2/c1-17-11-13-21(14-12-17)27-25(20-8-6-10-23(16-20)29-4)18(2)24(26-27)19-7-5-9-22(15-19)28-3/h5-16H,1-4H3
InChIKeyYFPFLTPOCNUQEF-UHFFFAOYSA-N
XLogP5.84
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole
CID 19587327
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
4-(3-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
CID 17025036
4-chloro-3,5-bis(3-methylphenyl)-1-(4-methylphenyl)pyrazole
CID 19587079
3,5-bis(3-methoxyphenyl)-4-methyl-1-[(2-methylphenyl)methyl]pyrazole
CID 19586247
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 101091522
4-(4-methoxyphenyl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
CID 19586231
1-[[3,5-bis(3-methoxyphenyl)-4-methylpyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole
CID 19586755
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
1,3,5-tris(4-fluorophenyl)-4-methylpyrazole
CID 19587590
hexadeca-2,4,6,8,10,12,14-heptayne;1-methoxy-3-(4-methylphenyl)benzene
CID 158800989
6-(3-methoxyphenyl)-3-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 10501346

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole?
The IUPAC name of 3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole (CID 19587307) is 3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole.
What is the SMILES notation for 3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole?
The canonical SMILES for 3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole is COc1cccc(-c2nn(-c3ccc(C)cc3)c(-c3cccc(OC)c3)c2C)c1.
What is the InChIKey of 3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole?
The InChIKey is YFPFLTPOCNUQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-17-11-13-21(14-12-17)27-25(20-8-6-10-23(16-20)29-4)18(2)24(26-27)19-7-5-9-22(15-19)28-3/h5-16H,1-4H3.
What are the key properties of 3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole?
3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole has a molecular weight of 384.48 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole is sourced from PubChem (CID 19587307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).