[8-chloro-6-methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]naphthalen-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanol

C26H24ClF3N2O2 — CID 118600275

IUPAC[8-chloro-6-methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]naphthalen-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCOc1cc2ccc(C(O)c3c(C)nn(C)c3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H24ClF3N2O2/c1-14-23(15(2)32(3)31-14)25(33)18-8-7-17-13-22(34-4)21(24(27)20(17)12-18)11-16-5-9-19(10-6-16)26(28,29)30/h5-10,12-13,25,33H,11H2,1-4H3
InChIKeyDJEKTBUZSHKXEY-UHFFFAOYSA-N
MW488.94 g/mol
LogP6.54
Rot. Bonds5

About [8-chloro-6-methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]naphthalen-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanol

[8-chloro-6-methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]naphthalen-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanol (PubChem CID 118600275) has the molecular formula C26H24ClF3N2O2 and a molecular weight of 488.94 g/mol. Its IUPAC name is [8-chloro-6-methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]naphthalen-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[8-chloro-6-methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]naphthalen-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanol
PubChem CID118600275
Molecular FormulaC26H24ClF3N2O2
Molecular Weight488.94 g/mol
Exact Mass488.15
IUPAC Name[8-chloro-6-methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]naphthalen-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCOc1cc2ccc(C(O)c3c(C)nn(C)c3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H24ClF3N2O2/c1-14-23(15(2)32(3)31-14)25(33)18-8-7-17-13-22(34-4)21(24(27)20(17)12-18)11-16-5-9-19(10-6-16)26(28,29)30/h5-10,12-13,25,33H,11H2,1-4H3
InChIKeyDJEKTBUZSHKXEY-UHFFFAOYSA-N
XLogP6.54
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.94
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-3-[(4-chlorophenoxy)methyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 170759552
6-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-[(4-chlorophenoxy)methyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol
CID 170759615
[5-(2-Chloro-6-fluorophenyl)-1,3-dimethylpyrazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
CID 66613884
[3-Chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
CID 66614254
3-[(4-Chlorophenoxy)methyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 155402259
3-[(4-Chlorophenoxy)methyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 155402443
5-Chloro-2-[3-(1,1-difluoroethyl)-4-methylphenyl]-6-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]-3-[(4-methylphenyl)methoxy]phenol
CID 155429883
6-[4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-[(4-chlorophenoxy)methyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorophenol
CID 170759567
3-[(4-Chlorophenoxy)methyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4-(trifluoromethyl)phenol
CID 178458771
4-Chloro-6-[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-3-[(4-chlorophenoxy)methyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]phenol
CID 178458784
3-[(4-Chlorophenoxy)methyl]-2-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluoro-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 178458791
3-(3,5-Dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1-methylpyrazole
CID 58186749

Frequently Asked Questions

What is the IUPAC name of [8-chloro-6-methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]naphthalen-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanol?
The IUPAC name of [8-chloro-6-methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]naphthalen-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanol (CID 118600275) is [8-chloro-6-methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]naphthalen-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanol.
What is the SMILES notation for [8-chloro-6-methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]naphthalen-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanol?
The canonical SMILES for [8-chloro-6-methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]naphthalen-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanol is COc1cc2ccc(C(O)c3c(C)nn(C)c3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [8-chloro-6-methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]naphthalen-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanol?
The InChIKey is DJEKTBUZSHKXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClF3N2O2/c1-14-23(15(2)32(3)31-14)25(33)18-8-7-17-13-22(34-4)21(24(27)20(17)12-18)11-16-5-9-19(10-6-16)26(28,29)30/h5-10,12-13,25,33H,11H2,1-4H3.
What are the key properties of [8-chloro-6-methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]naphthalen-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanol?
[8-chloro-6-methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]naphthalen-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanol has a molecular weight of 488.94 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-chloro-6-methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]naphthalen-2-yl]-(1,3,5-trimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 118600275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).