2-fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol

C20H19FN2O3 — CID 155664963

IUPAC2-fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol
SMILESOc1cccc(-c2nn(C3CCCCO3)cc2Oc2ccccc2)c1F
InChIInChI=1S/C20H19FN2O3/c21-19-15(9-6-10-16(19)24)20-17(26-14-7-2-1-3-8-14)13-23(22-20)18-11-4-5-12-25-18/h1-3,6-10,13,18,24H,4-5,11-12H2
InChIKeyIKCPRWILQDXDOB-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.89
Rot. Bonds4

About 2-fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol

2-fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol (PubChem CID 155664963) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 2-fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol
PubChem CID155664963
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name2-fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol
SMILESOc1cccc(-c2nn(C3CCCCO3)cc2Oc2ccccc2)c1F
InChIInChI=1S/C20H19FN2O3/c21-19-15(9-6-10-16(19)24)20-17(26-14-7-2-1-3-8-14)13-23(22-20)18-11-4-5-12-25-18/h1-3,6-10,13,18,24H,4-5,11-12H2
InChIKeyIKCPRWILQDXDOB-UHFFFAOYSA-N
XLogP4.89
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol?
The IUPAC name of 2-fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol (CID 155664963) is 2-fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol.
What is the SMILES notation for 2-fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol?
The canonical SMILES for 2-fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol is Oc1cccc(-c2nn(C3CCCCO3)cc2Oc2ccccc2)c1F.
What is the InChIKey of 2-fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol?
The InChIKey is IKCPRWILQDXDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c21-19-15(9-6-10-16(19)24)20-17(26-14-7-2-1-3-8-14)13-23(22-20)18-11-4-5-12-25-18/h1-3,6-10,13,18,24H,4-5,11-12H2.
What are the key properties of 2-fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol?
2-fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol has a molecular weight of 354.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[1-(oxan-2-yl)-4-phenoxypyrazol-3-yl]phenol is sourced from PubChem (CID 155664963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).