4-[5-(2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine

C19H17F2N3O — CID 67107098

IUPAC4-[5-(2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2c(-c3ccncc3)cnn2C2CCCCO2)c(F)c1
InChIInChI=1S/C19H17F2N3O/c20-14-4-5-15(17(21)11-14)19-16(13-6-8-22-9-7-13)12-23-24(19)18-3-1-2-10-25-18/h4-9,11-12,18H,1-3,10H2
InChIKeyYADPPCCTUFQGDP-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.59
Rot. Bonds3

About 4-[5-(2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine

4-[5-(2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine (PubChem CID 67107098) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-[5-(2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
PubChem CID67107098
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name4-[5-(2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
SMILESFc1ccc(-c2c(-c3ccncc3)cnn2C2CCCCO2)c(F)c1
InChIInChI=1S/C19H17F2N3O/c20-14-4-5-15(17(21)11-14)19-16(13-6-8-22-9-7-13)12-23-24(19)18-3-1-2-10-25-18/h4-9,11-12,18H,1-3,10H2
InChIKeyYADPPCCTUFQGDP-UHFFFAOYSA-N
XLogP4.59
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine (CID 67107098) is 4-[5-(2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine is Fc1ccc(-c2c(-c3ccncc3)cnn2C2CCCCO2)c(F)c1.
What is the InChIKey of 4-[5-(2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine?
The InChIKey is YADPPCCTUFQGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c20-14-4-5-15(17(21)11-14)19-16(13-6-8-22-9-7-13)12-23-24(19)18-3-1-2-10-25-18/h4-9,11-12,18H,1-3,10H2.
What are the key properties of 4-[5-(2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine?
4-[5-(2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine has a molecular weight of 341.36 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 67107098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).