3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol

C11H9F3N2O2 — CID 175836404

IUPAC3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol
SMILESCn1cc(-c2cc(O)cc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C11H9F3N2O2/c1-16-6-8(5-15-16)7-2-9(17)4-10(3-7)18-11(12,13)14/h2-6,17H,1H3
InChIKeyUQTBLEXTWSBNGJ-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.69
Rot. Bonds2

About 3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol

3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol (PubChem CID 175836404) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol
PubChem CID175836404
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol
SMILESCn1cc(-c2cc(O)cc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C11H9F3N2O2/c1-16-6-8(5-15-16)7-2-9(17)4-10(3-7)18-11(12,13)14/h2-6,17H,1H3
InChIKeyUQTBLEXTWSBNGJ-UHFFFAOYSA-N
XLogP2.69
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-(1-methylpyrazol-4-yl)phenol
CID 83130417
3-(4-tert-butylphenyl)-5-(trifluoromethoxy)phenol
CID 53222073
3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
CID 53221920
3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221967
3-(4-fluoro-3-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221969
3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol
CID 53222067
4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
CID 53222015
3-(3-aminophenyl)-5-(trifluoromethoxy)phenol
CID 53221916
3-(2-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221910
4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole
CID 170591109
2-methyl-5-(4-methylpiperazin-1-yl)-N-[(1R)-1-[3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 171086123
4-[3-hydroxy-5-(trifluoromethoxy)phenyl]-N,N-dimethylbenzenesulfonamide
CID 53222199

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol (CID 175836404) is 3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol is Cn1cc(-c2cc(O)cc(OC(F)(F)F)c2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol?
The InChIKey is UQTBLEXTWSBNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c1-16-6-8(5-15-16)7-2-9(17)4-10(3-7)18-11(12,13)14/h2-6,17H,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol?
3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol has a molecular weight of 258.20 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-5-(trifluoromethoxy)phenol is sourced from PubChem (CID 175836404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).