2-ethenyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol

C19H16F3N3O2 — CID 118039309

IUPAC2-ethenyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol
SMILESC=Cc1c(O)cccc1OCc1cccnc1-c1ccnn1CC(F)(F)F
InChIInChI=1S/C19H16F3N3O2/c1-2-14-16(26)6-3-7-17(14)27-11-13-5-4-9-23-18(13)15-8-10-24-25(15)12-19(20,21)22/h2-10,26H,1,11-12H2
InChIKeyRXLBTUBKTIFHCU-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.43
Rot. Bonds6

About 2-ethenyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol

2-ethenyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol (PubChem CID 118039309) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 2-ethenyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol.

Molecular Properties

Compound Name2-ethenyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol
PubChem CID118039309
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name2-ethenyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol
SMILESC=Cc1c(O)cccc1OCc1cccnc1-c1ccnn1CC(F)(F)F
InChIInChI=1S/C19H16F3N3O2/c1-2-14-16(26)6-3-7-17(14)27-11-13-5-4-9-23-18(13)15-8-10-24-25(15)12-19(20,21)22/h2-10,26H,1,11-12H2
InChIKeyRXLBTUBKTIFHCU-UHFFFAOYSA-N
XLogP4.43
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol?
The IUPAC name of 2-ethenyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol (CID 118039309) is 2-ethenyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol.
What is the SMILES notation for 2-ethenyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol?
The canonical SMILES for 2-ethenyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol is C=Cc1c(O)cccc1OCc1cccnc1-c1ccnn1CC(F)(F)F.
What is the InChIKey of 2-ethenyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol?
The InChIKey is RXLBTUBKTIFHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-2-14-16(26)6-3-7-17(14)27-11-13-5-4-9-23-18(13)15-8-10-24-25(15)12-19(20,21)22/h2-10,26H,1,11-12H2.
What are the key properties of 2-ethenyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol?
2-ethenyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol has a molecular weight of 375.35 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-[[2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-pyridinyl]methoxy]phenol is sourced from PubChem (CID 118039309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).