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

C12H11F3N2O — CID 136970225

IUPAC2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
SMILESCc1cc(-c2cc(C(F)(F)F)nn2C)ccc1O
InChIInChI=1S/C12H11F3N2O/c1-7-5-8(3-4-10(7)18)9-6-11(12(13,14)15)16-17(9)2/h3-6,18H,1-2H3
InChIKeyHLMQOGBXZQRQSL-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.12
Rot. Bonds1

About 2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol

2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol (PubChem CID 136970225) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
PubChem CID136970225
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
SMILESCc1cc(-c2cc(C(F)(F)F)nn2C)ccc1O
InChIInChI=1S/C12H11F3N2O/c1-7-5-8(3-4-10(7)18)9-6-11(12(13,14)15)16-17(9)2/h3-6,18H,1-2H3
InChIKeyHLMQOGBXZQRQSL-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The IUPAC name of 2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol (CID 136970225) is 2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol.
What is the SMILES notation for 2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The canonical SMILES for 2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol is Cc1cc(-c2cc(C(F)(F)F)nn2C)ccc1O.
What is the InChIKey of 2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
The InChIKey is HLMQOGBXZQRQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-7-5-8(3-4-10(7)18)9-6-11(12(13,14)15)16-17(9)2/h3-6,18H,1-2H3.
What are the key properties of 2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol?
2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol has a molecular weight of 256.23 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol is sourced from PubChem (CID 136970225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).