3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole

C27H25F3N2O4 — CID 19586264

IUPAC3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(Cc3cccc(C(F)(F)F)c3)n2)c(OC)c1
InChIInChI=1S/C27H25F3N2O4/c1-33-19-8-10-21(25(13-19)35-3)23-15-24(22-11-9-20(34-2)14-26(22)36-4)32(31-23)16-17-6-5-7-18(12-17)27(28,29)30/h5-15H,16H2,1-4H3
InChIKeyIGKRQJCMWDIXMN-UHFFFAOYSA-N
MW498.50 g/mol
LogP6.32
Rot. Bonds8

About 3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole

3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole (PubChem CID 19586264) has the molecular formula C27H25F3N2O4 and a molecular weight of 498.50 g/mol. Its IUPAC name is 3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
PubChem CID19586264
Molecular FormulaC27H25F3N2O4
Molecular Weight498.50 g/mol
Exact Mass498.18
IUPAC Name3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(Cc3cccc(C(F)(F)F)c3)n2)c(OC)c1
InChIInChI=1S/C27H25F3N2O4/c1-33-19-8-10-21(25(13-19)35-3)23-15-24(22-11-9-20(34-2)14-26(22)36-4)32(31-23)16-17-6-5-7-18(12-17)27(28,29)30/h5-15H,16H2,1-4H3
InChIKeyIGKRQJCMWDIXMN-UHFFFAOYSA-N
XLogP6.32
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.50
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-bis(3-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 19586548
3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19587078
3-(2,4-dimethoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 3594843
5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 117232554
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-methoxybenzamide
CID 19394052
3-methoxy-2-methyl-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19345952
3,5-bis(2,4-dimethoxyphenyl)-1-[(3-nitropyrazol-1-yl)methyl]pyrazole
CID 17025429
6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 8699136
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 41376583
4-methoxy-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-3-nitrobenzamide
CID 19345809
2-(2,5-dimethoxyphenyl)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 78806167

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The IUPAC name of 3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole (CID 19586264) is 3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The canonical SMILES for 3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole is COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(Cc3cccc(C(F)(F)F)c3)n2)c(OC)c1.
What is the InChIKey of 3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The InChIKey is IGKRQJCMWDIXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N2O4/c1-33-19-8-10-21(25(13-19)35-3)23-15-24(22-11-9-20(34-2)14-26(22)36-4)32(31-23)16-17-6-5-7-18(12-17)27(28,29)30/h5-15H,16H2,1-4H3.
What are the key properties of 3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole has a molecular weight of 498.50 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2,4-dimethoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 19586264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).