1-(4-fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole

C17H21FN2O2 — CID 126749868

IUPAC1-(4-fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole
SMILESCC(C)c1nn(-c2ccc(F)cc2)cc1OCC1(C)COC1
InChIInChI=1S/C17H21FN2O2/c1-12(2)16-15(22-11-17(3)9-21-10-17)8-20(19-16)14-6-4-13(18)5-7-14/h4-8,12H,9-11H2,1-3H3
InChIKeyOJPVAYSBJKOMLH-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.55
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole

1-(4-fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole (PubChem CID 126749868) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole
PubChem CID126749868
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name1-(4-fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole
SMILESCC(C)c1nn(-c2ccc(F)cc2)cc1OCC1(C)COC1
InChIInChI=1S/C17H21FN2O2/c1-12(2)16-15(22-11-17(3)9-21-10-17)8-20(19-16)14-6-4-13(18)5-7-14/h4-8,12H,9-11H2,1-3H3
InChIKeyOJPVAYSBJKOMLH-UHFFFAOYSA-N
XLogP3.55
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole?
The IUPAC name of 1-(4-fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole (CID 126749868) is 1-(4-fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole is CC(C)c1nn(-c2ccc(F)cc2)cc1OCC1(C)COC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole?
The InChIKey is OJPVAYSBJKOMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-12(2)16-15(22-11-17(3)9-21-10-17)8-20(19-16)14-6-4-13(18)5-7-14/h4-8,12H,9-11H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole?
1-(4-fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole has a molecular weight of 304.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(3-methyloxetan-3-yl)methoxy]-3-propan-2-ylpyrazole is sourced from PubChem (CID 126749868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).