4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenol

C11H9F3N2O — CID 138679486

IUPAC4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenol
SMILESCn1cc(-c2ccc(O)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N2O/c1-16-6-9(10(15-16)11(12,13)14)7-2-4-8(17)5-3-7/h2-6,17H,1H3
InChIKeyUOAOAVYWOFGNSW-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.81
Rot. Bonds1

About 4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenol

4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenol (PubChem CID 138679486) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenol.

Molecular Properties

Compound Name4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenol
PubChem CID138679486
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenol
SMILESCn1cc(-c2ccc(O)cc2)c(C(F)(F)F)n1
InChIInChI=1S/C11H9F3N2O/c1-16-6-9(10(15-16)11(12,13)14)7-2-4-8(17)5-3-7/h2-6,17H,1H3
InChIKeyUOAOAVYWOFGNSW-UHFFFAOYSA-N
XLogP2.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(Dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol
CID 25192947
4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol
CID 71607972
2,5-Difluoro-4-[1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-4-yl]-phenol
CID 86722114
1-(4-Hydroxybenzyl)pyrazole
CID 133412
2-[1-Methyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol
CID 972477
4-Prop-2-enyl-2-(1-prop-2-enylpyrazol-3-yl)phenol
CID 155533142
2-(1-Methyl-1H-Pyrazol-5-Yl)Phenol
CID 2804778
4-fluoro-2-(1-methyl-1H-pyrazol-5-yl)phenol
CID 2804882
4-(1-methyl-1H-pyrazol-4-yl)phenol
CID 79001945
2,4-difluoro-6-(1-methyl-1H-pyrazol-5-yl)phenol
CID 2804884
2-(1-Tert-butylpyrazol-3-yl)-4,6-difluorophenol
CID 2806216
3-[[Methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenol
CID 75376542

Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenol?
The IUPAC name of 4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenol (CID 138679486) is 4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenol.
What is the SMILES notation for 4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenol?
The canonical SMILES for 4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenol is Cn1cc(-c2ccc(O)cc2)c(C(F)(F)F)n1.
What is the InChIKey of 4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenol?
The InChIKey is UOAOAVYWOFGNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-16-6-9(10(15-16)11(12,13)14)7-2-4-8(17)5-3-7/h2-6,17H,1H3.
What are the key properties of 4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenol?
4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenol has a molecular weight of 242.20 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenol is sourced from PubChem (CID 138679486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).