5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

C17H13F3N2O2 — CID 943784

IUPAC5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESCOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)c1
InChIInChI=1S/C17H13F3N2O2/c1-24-11-7-8-12(13(23)9-11)15-14(10-5-3-2-4-6-10)16(22-21-15)17(18,19)20/h2-9,23H,1H3,(H,21,22)
InChIKeyISTKTDUPVOFTJT-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.48
Rot. Bonds3

About 5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 943784) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
PubChem CID943784
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESCOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)c1
InChIInChI=1S/C17H13F3N2O2/c1-24-11-7-8-12(13(23)9-11)15-14(10-5-3-2-4-6-10)16(22-21-15)17(18,19)20/h2-9,23H,1H3,(H,21,22)
InChIKeyISTKTDUPVOFTJT-UHFFFAOYSA-N
XLogP4.48
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 943784) is 5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is ISTKTDUPVOFTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-24-11-7-8-12(13(23)9-11)15-14(10-5-3-2-4-6-10)16(22-21-15)17(18,19)20/h2-9,23H,1H3,(H,21,22).
What are the key properties of 5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 334.30 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 943784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).