3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole

C24H19F3N2O — CID 132940971

IUPAC3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCOc1ccc(-c2nn(C)c(-c3ccccc3)c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H19F3N2O/c1-29-23(18-6-4-3-5-7-18)21(16-8-12-19(13-9-16)24(25,26)27)22(28-29)17-10-14-20(30-2)15-11-17/h3-15H,1-2H3
InChIKeyRLYCAMUHDSOQBS-UHFFFAOYSA-N
MW408.42 g/mol
LogP6.45
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole

3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 132940971) has the molecular formula C24H19F3N2O and a molecular weight of 408.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID132940971
Molecular FormulaC24H19F3N2O
Molecular Weight408.42 g/mol
Exact Mass408.14
IUPAC Name3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCOc1ccc(-c2nn(C)c(-c3ccccc3)c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H19F3N2O/c1-29-23(18-6-4-3-5-7-18)21(16-8-12-19(13-9-16)24(25,26)27)22(28-29)17-10-14-20(30-2)15-11-17/h3-15H,1-2H3
InChIKeyRLYCAMUHDSOQBS-UHFFFAOYSA-N
XLogP6.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.42
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenyl-7-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 118710918
2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole
CID 53244019
2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
CID 71608846
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 102130644
1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene
CID 46189438
4-[[3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazol-7-yl]methyl]morpholine
CID 118710930
4-(4-methoxyphenyl)-6-phenyl-2-[4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 172880278
3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80523679
5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 123855577
6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
CID 59651906

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole (CID 132940971) is 3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole is COc1ccc(-c2nn(C)c(-c3ccccc3)c2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is RLYCAMUHDSOQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2O/c1-29-23(18-6-4-3-5-7-18)21(16-8-12-19(13-9-16)24(25,26)27)22(28-29)17-10-14-20(30-2)15-11-17/h3-15H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole?
3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 408.42 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 132940971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).