4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenol

C11H9F3N2O — CID 66738948

IUPAC4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenol
SMILESCc1cc(C(F)(F)F)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C11H9F3N2O/c1-7-6-10(11(12,13)14)16(15-7)8-2-4-9(17)5-3-8/h2-6,17H,1H3
InChIKeyVZEDEUFGMDPBLV-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.91
Rot. Bonds1

About 4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenol

4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenol (PubChem CID 66738948) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenol
PubChem CID66738948
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenol
SMILESCc1cc(C(F)(F)F)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C11H9F3N2O/c1-7-6-10(11(12,13)14)16(15-7)8-2-4-9(17)5-3-8/h2-6,17H,1H3
InChIKeyVZEDEUFGMDPBLV-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenol?
The IUPAC name of 4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenol (CID 66738948) is 4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenol is Cc1cc(C(F)(F)F)n(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenol?
The InChIKey is VZEDEUFGMDPBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-7-6-10(11(12,13)14)16(15-7)8-2-4-9(17)5-3-8/h2-6,17H,1H3.
What are the key properties of 4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenol?
4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenol has a molecular weight of 242.20 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 66738948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).