2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol

C14H13F3N2O — CID 172907045

IUPAC2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1-c1cnn(C2CCC2)c1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)10-4-5-12(13(20)6-10)9-7-18-19(8-9)11-2-1-3-11/h4-8,11,20H,1-3H2
InChIKeyQFJYNAAHFRFALD-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.00
Rot. Bonds2

About 2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol

2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol (PubChem CID 172907045) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol
PubChem CID172907045
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1-c1cnn(C2CCC2)c1
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)10-4-5-12(13(20)6-10)9-7-18-19(8-9)11-2-1-3-11/h4-8,11,20H,1-3H2
InChIKeyQFJYNAAHFRFALD-UHFFFAOYSA-N
XLogP4.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

potassium 2-(1-cyclobutylpyrazol-4-yl)-5-[[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate
CID 171476178
2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)phenol
CID 172879520
methyl 2-(1-cyclobutylpyrazol-4-yl)-5-[[1-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate
CID 166919347
2-(1-cyclohexylpyrazol-4-yl)-4-fluoroaniline
CID 171116031
2-pyridin-3-yl-5-(trifluoromethyl)phenol
CID 46317345
2-(1-cyclopentylpyrazol-4-yl)-4-fluorobenzonitrile
CID 172989778
4-(1-cyclohexylpyrazol-4-yl)-2,6-dimethylphenol
CID 171921837
2-(1-cycloheptylpyrazol-4-yl)aniline
CID 82927063
methyl 2-[3-(1-cyclopentylpyrazol-4-yl)-4-hydroxyphenyl]acetate
CID 171369408
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
tert-butyl 3-[4-(4-fluoro-2-hydroxyphenyl)pyrazol-1-yl]azetidine-1-carboxylate
CID 172907076
tert-butyl 3-[4-(1-cyclobutylpyrazol-4-yl)-1-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-3-yl]azetidine-1-carboxylate
CID 168906287

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol (CID 172907045) is 2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)ccc1-c1cnn(C2CCC2)c1.
What is the InChIKey of 2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol?
The InChIKey is QFJYNAAHFRFALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)10-4-5-12(13(20)6-10)9-7-18-19(8-9)11-2-1-3-11/h4-8,11,20H,1-3H2.
What are the key properties of 2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol?
2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol has a molecular weight of 282.26 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylpyrazol-4-yl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 172907045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).