2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol

C11H9F3N2O — CID 4036144

IUPAC2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
SMILESCn1nc(C(F)(F)F)cc1-c1ccccc1O
InChIInChI=1S/C11H9F3N2O/c1-16-8(6-10(15-16)11(12,13)14)7-4-2-3-5-9(7)17/h2-6,17H,1H3
InChIKeyBUIDTGUFPHMVPP-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.81
Rot. Bonds1

About 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol (PubChem CID 4036144) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
PubChem CID4036144
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
SMILESCn1nc(C(F)(F)F)cc1-c1ccccc1O
InChIInChI=1S/C11H9F3N2O/c1-16-8(6-10(15-16)11(12,13)14)7-4-2-3-5-9(7)17/h2-6,17H,1H3
InChIKeyBUIDTGUFPHMVPP-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol (CID 4036144) is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The canonical SMILES for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol is Cn1nc(C(F)(F)F)cc1-c1ccccc1O.
What is the InChIKey of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The InChIKey is BUIDTGUFPHMVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-16-8(6-10(15-16)11(12,13)14)7-4-2-3-5-9(7)17/h2-6,17H,1H3.
What are the key properties of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-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 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol is sourced from PubChem (CID 4036144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).