5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol

C23H17ClF3N3O2 — CID 137183302

IUPAC5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol
SMILESCn1nc(C(F)(F)F)c(-c2cccnc2)c1-c1ccc(OCc2ccc(Cl)cc2)cc1O
InChIInChI=1S/C23H17ClF3N3O2/c1-30-21(20(15-3-2-10-28-12-15)22(29-30)23(25,26)27)18-9-8-17(11-19(18)31)32-13-14-4-6-16(24)7-5-14/h2-12,31H,13H2,1H3
InChIKeyJYARGFNKUDXMMJ-UHFFFAOYSA-N
MW459.86 g/mol
LogP6.11
Rot. Bonds5

About 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol

5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol (PubChem CID 137183302) has the molecular formula C23H17ClF3N3O2 and a molecular weight of 459.86 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol
PubChem CID137183302
Molecular FormulaC23H17ClF3N3O2
Molecular Weight459.86 g/mol
Exact Mass459.10
IUPAC Name5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol
SMILESCn1nc(C(F)(F)F)c(-c2cccnc2)c1-c1ccc(OCc2ccc(Cl)cc2)cc1O
InChIInChI=1S/C23H17ClF3N3O2/c1-30-21(20(15-3-2-10-28-12-15)22(29-30)23(25,26)27)18-9-8-17(11-19(18)31)32-13-14-4-6-16(24)7-5-14/h2-12,31H,13H2,1H3
InChIKeyJYARGFNKUDXMMJ-UHFFFAOYSA-N
XLogP6.11
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.86
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-[(4-chlorophenyl)methoxy]phenol
CID 137196381
5-[(4-chlorophenyl)methoxy]-2-[1,3-dimethyl-4-(4-methylphenyl)pyrazol-5-yl]phenol
CID 147700932
2-[2-amino-5-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(4-methylphenyl)methoxy]phenol
CID 2035965
4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole
CID 146433212
4-[4-[3,5-bis(trifluoromethyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzene-1,3-diol
CID 137183407
4-[(4-chlorophenyl)methoxy]-2-[4-[3-(methyliminomethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 146932243
5-[(4-chlorophenyl)methoxy]-2-[4-[3-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183413
5-[(3-chlorophenyl)methoxy]-2-[5-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]phenol
CID 135651291
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742
3-[4-chloro-2-(phenoxymethyl)phenyl]pyridine
CID 90713874
5-[(4-chlorophenyl)methoxy]-2-[4-[2-chloro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 137183421
4-methyl-3-phenylmethoxy-5-pyridin-3-yl-2-(trifluoromethyl)pyridine
CID 175581577

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The IUPAC name of 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol (CID 137183302) is 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol.
What is the SMILES notation for 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The canonical SMILES for 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol is Cn1nc(C(F)(F)F)c(-c2cccnc2)c1-c1ccc(OCc2ccc(Cl)cc2)cc1O.
What is the InChIKey of 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The InChIKey is JYARGFNKUDXMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N3O2/c1-30-21(20(15-3-2-10-28-12-15)22(29-30)23(25,26)27)18-9-8-17(11-19(18)31)32-13-14-4-6-16(24)7-5-14/h2-12,31H,13H2,1H3.
What are the key properties of 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol has a molecular weight of 459.86 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methoxy]-2-[1-methyl-4-pyridin-3-yl-3-(trifluoromethyl)pyrazol-5-yl]phenol is sourced from PubChem (CID 137183302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).