3-ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole

C19H21FN4O — CID 141154257

IUPAC3-ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole
SMILESCCc1ccn(C2CCOC(c3ccnn3-c3ccc(F)cc3)C2)n1
InChIInChI=1S/C19H21FN4O/c1-2-15-8-11-23(22-15)17-9-12-25-19(13-17)18-7-10-21-24(18)16-5-3-14(20)4-6-16/h3-8,10-11,17,19H,2,9,12-13H2,1H3
InChIKeyWPBSUKFXHYEOIN-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.86
Rot. Bonds4

About 3-ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole

3-ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole (PubChem CID 141154257) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole.

Molecular Properties

Compound Name3-ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole
PubChem CID141154257
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name3-ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole
SMILESCCc1ccn(C2CCOC(c3ccnn3-c3ccc(F)cc3)C2)n1
InChIInChI=1S/C19H21FN4O/c1-2-15-8-11-23(22-15)17-9-12-25-19(13-17)18-7-10-21-24(18)16-5-3-14(20)4-6-16/h3-8,10-11,17,19H,2,9,12-13H2,1H3
InChIKeyWPBSUKFXHYEOIN-UHFFFAOYSA-N
XLogP3.86
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole?
The IUPAC name of 3-ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole (CID 141154257) is 3-ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole.
What is the SMILES notation for 3-ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole?
The canonical SMILES for 3-ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole is CCc1ccn(C2CCOC(c3ccnn3-c3ccc(F)cc3)C2)n1.
What is the InChIKey of 3-ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole?
The InChIKey is WPBSUKFXHYEOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-2-15-8-11-23(22-15)17-9-12-25-19(13-17)18-7-10-21-24(18)16-5-3-14(20)4-6-16/h3-8,10-11,17,19H,2,9,12-13H2,1H3.
What are the key properties of 3-ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole?
3-ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole has a molecular weight of 340.40 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole is sourced from PubChem (CID 141154257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).