3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine

C15H18FN3O — CID 75450948

IUPAC3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine
SMILESCc1nn(-c2ccccc2F)c(C)c1C1COCCN1
InChIInChI=1S/C15H18FN3O/c1-10-15(13-9-20-8-7-17-13)11(2)19(18-10)14-6-4-3-5-12(14)16/h3-6,13,17H,7-9H2,1-2H3
InChIKeyJGBIDYJPADLQEX-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.29
Rot. Bonds2

About 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine

3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine (PubChem CID 75450948) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine
PubChem CID75450948
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine
SMILESCc1nn(-c2ccccc2F)c(C)c1C1COCCN1
InChIInChI=1S/C15H18FN3O/c1-10-15(13-9-20-8-7-17-13)11(2)19(18-10)14-6-4-3-5-12(14)16/h3-6,13,17H,7-9H2,1-2H3
InChIKeyJGBIDYJPADLQEX-UHFFFAOYSA-N
XLogP2.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine?
The IUPAC name of 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine (CID 75450948) is 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine.
What is the SMILES notation for 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine?
The canonical SMILES for 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine is Cc1nn(-c2ccccc2F)c(C)c1C1COCCN1.
What is the InChIKey of 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine?
The InChIKey is JGBIDYJPADLQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10-15(13-9-20-8-7-17-13)11(2)19(18-10)14-6-4-3-5-12(14)16/h3-6,13,17H,7-9H2,1-2H3.
What are the key properties of 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine?
3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine has a molecular weight of 275.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholine is sourced from PubChem (CID 75450948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).