4-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]phenol

C16H12F3N3O2 — CID 135465523

IUPAC4-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]phenol
SMILESCOc1ccc(O)c(-c2ccn(-c3ncccc3C(F)(F)F)n2)c1
InChIInChI=1S/C16H12F3N3O2/c1-24-10-4-5-14(23)11(9-10)13-6-8-22(21-13)15-12(16(17,18)19)3-2-7-20-15/h2-9,23H,1H3
InChIKeyQEEGIRXCJFGBRS-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.67
Rot. Bonds3

About 4-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]phenol

4-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]phenol (PubChem CID 135465523) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 4-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]phenol
PubChem CID135465523
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name4-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]phenol
SMILESCOc1ccc(O)c(-c2ccn(-c3ncccc3C(F)(F)F)n2)c1
InChIInChI=1S/C16H12F3N3O2/c1-24-10-4-5-14(23)11(9-10)13-6-8-22(21-13)15-12(16(17,18)19)3-2-7-20-15/h2-9,23H,1H3
InChIKeyQEEGIRXCJFGBRS-UHFFFAOYSA-N
XLogP3.67
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]phenol?
The IUPAC name of 4-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]phenol (CID 135465523) is 4-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]phenol.
What is the SMILES notation for 4-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]phenol?
The canonical SMILES for 4-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]phenol is COc1ccc(O)c(-c2ccn(-c3ncccc3C(F)(F)F)n2)c1.
What is the InChIKey of 4-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]phenol?
The InChIKey is QEEGIRXCJFGBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-24-10-4-5-14(23)11(9-10)13-6-8-22(21-13)15-12(16(17,18)19)3-2-7-20-15/h2-9,23H,1H3.
What are the key properties of 4-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]phenol?
4-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]phenol has a molecular weight of 335.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]phenol is sourced from PubChem (CID 135465523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).