2-[3-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]ethanol

C17H14F3N3O — CID 29184046

IUPAC2-[3-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]ethanol
SMILESOCCn1ccc(-c2cccc(-c3cc(C(F)(F)F)ccn3)c2)n1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)14-4-6-21-16(11-14)13-3-1-2-12(10-13)15-5-7-23(22-15)8-9-24/h1-7,10-11,24H,8-9H2
InChIKeyRBEGMVJQKUIBHU-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.62
Rot. Bonds4

About 2-[3-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]ethanol

2-[3-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]ethanol (PubChem CID 29184046) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 2-[3-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]ethanol
PubChem CID29184046
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name2-[3-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]ethanol
SMILESOCCn1ccc(-c2cccc(-c3cc(C(F)(F)F)ccn3)c2)n1
InChIInChI=1S/C17H14F3N3O/c18-17(19,20)14-4-6-21-16(11-14)13-3-1-2-12(10-13)15-5-7-23(22-15)8-9-24/h1-7,10-11,24H,8-9H2
InChIKeyRBEGMVJQKUIBHU-UHFFFAOYSA-N
XLogP3.62
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]ethanol (CID 29184046) is 2-[3-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]ethanol is OCCn1ccc(-c2cccc(-c3cc(C(F)(F)F)ccn3)c2)n1.
What is the InChIKey of 2-[3-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]ethanol?
The InChIKey is RBEGMVJQKUIBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c18-17(19,20)14-4-6-21-16(11-14)13-3-1-2-12(10-13)15-5-7-23(22-15)8-9-24/h1-7,10-11,24H,8-9H2.
What are the key properties of 2-[3-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]ethanol?
2-[3-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]ethanol has a molecular weight of 333.31 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[4-(trifluoromethyl)-2-pyridinyl]phenyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 29184046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).