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

C12H11F3N2O — CID 166306484

IUPAC4-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenol
SMILESCc1ccc(O)cc1-c1c(C(F)(F)F)n[nH]c1C
InChIInChI=1S/C12H11F3N2O/c1-6-3-4-8(18)5-9(6)10-7(2)16-17-11(10)12(13,14)15/h3-5,18H,1-2H3,(H,16,17)
InChIKeyPKXWHQVJIOBSRX-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.42
Rot. Bonds1

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

4-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenol (PubChem CID 166306484) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 4-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenol.

Molecular Properties

Compound Name4-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenol
PubChem CID166306484
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name4-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenol
SMILESCc1ccc(O)cc1-c1c(C(F)(F)F)n[nH]c1C
InChIInChI=1S/C12H11F3N2O/c1-6-3-4-8(18)5-9(6)10-7(2)16-17-11(10)12(13,14)15/h3-5,18H,1-2H3,(H,16,17)
InChIKeyPKXWHQVJIOBSRX-UHFFFAOYSA-N
XLogP3.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenol?
The IUPAC name of 4-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenol (CID 166306484) is 4-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenol.
What is the SMILES notation for 4-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenol?
The canonical SMILES for 4-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenol is Cc1ccc(O)cc1-c1c(C(F)(F)F)n[nH]c1C.
What is the InChIKey of 4-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenol?
The InChIKey is PKXWHQVJIOBSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-6-3-4-8(18)5-9(6)10-7(2)16-17-11(10)12(13,14)15/h3-5,18H,1-2H3,(H,16,17).
What are the key properties of 4-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenol?
4-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenol has a molecular weight of 256.23 g/mol, XLogP of 3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]phenol is sourced from PubChem (CID 166306484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).