3-methyl-4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]phenol

C18H15F3N2O — CID 135524884

IUPAC3-methyl-4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]phenol
SMILESC=CCn1nc(-c2ccc(O)cc2C)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C18H15F3N2O/c1-3-9-23-17-14(5-4-6-15(17)18(19,20)21)16(22-23)13-8-7-12(24)10-11(13)2/h3-8,10,24H,1,9H2,2H3
InChIKeySWJSHDFDYLZVEN-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.92
Rot. Bonds3

About 3-methyl-4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]phenol

3-methyl-4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]phenol (PubChem CID 135524884) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is 3-methyl-4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]phenol.

Molecular Properties

Compound Name3-methyl-4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]phenol
PubChem CID135524884
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name3-methyl-4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]phenol
SMILESC=CCn1nc(-c2ccc(O)cc2C)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C18H15F3N2O/c1-3-9-23-17-14(5-4-6-15(17)18(19,20)21)16(22-23)13-8-7-12(24)10-11(13)2/h3-8,10,24H,1,9H2,2H3
InChIKeySWJSHDFDYLZVEN-UHFFFAOYSA-N
XLogP4.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Way-169916
CID 135461982
4-(7-chloro-1-propyl-1H-indazol-3-yl)phenol
CID 135407148
4-(1-butyl-7-chloro-1H-indazol-3-yl)phenol
CID 135458016
Phenol, 4-(7-methyl-1-propyl-1H-indazol-3-yl)-
CID 135511848
4-(1-cyclopentyl-7-fluoro-1H-indazol-3-yl)phenol
CID 135524867
4-[1-isopropyl-7-(trifluoromethyl)-1H-indazol-3-yl]phenol
CID 135428120
4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]phenol
CID 135433989
4-[1-isopropyl-7-(trifluoromethyl)-1H-indazol-3-yl]-3-methylphenol
CID 135507439
4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)-1H-indazol-3-yl]phenol
CID 135511925
4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl)phenol
CID 135546507
4-[1-(4-Fluorophenyl)indazol-5-yl]phenol
CID 46831087
3-[1-(4-Fluorophenyl)indazol-5-yl]phenol
CID 46831397

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]phenol?
The IUPAC name of 3-methyl-4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]phenol (CID 135524884) is 3-methyl-4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]phenol.
What is the SMILES notation for 3-methyl-4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]phenol?
The canonical SMILES for 3-methyl-4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]phenol is C=CCn1nc(-c2ccc(O)cc2C)c2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-methyl-4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]phenol?
The InChIKey is SWJSHDFDYLZVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-3-9-23-17-14(5-4-6-15(17)18(19,20)21)16(22-23)13-8-7-12(24)10-11(13)2/h3-8,10,24H,1,9H2,2H3.
What are the key properties of 3-methyl-4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]phenol?
3-methyl-4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]phenol has a molecular weight of 332.33 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[1-prop-2-enyl-7-(trifluoromethyl)indazol-3-yl]phenol is sourced from PubChem (CID 135524884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).