(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone

C17H20FN3O2 — CID 42758584

IUPAC(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
SMILESCC1CN(C(=O)c2cc(-c3ccc(F)cc3)nn2C)CC(C)O1
InChIInChI=1S/C17H20FN3O2/c1-11-9-21(10-12(2)23-11)17(22)16-8-15(19-20(16)3)13-4-6-14(18)7-5-13/h4-8,11-12H,9-10H2,1-3H3
InChIKeyIFFYAUGPPDMACX-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.48
Rot. Bonds2

About (2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone (PubChem CID 42758584) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
PubChem CID42758584
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone
SMILESCC1CN(C(=O)c2cc(-c3ccc(F)cc3)nn2C)CC(C)O1
InChIInChI=1S/C17H20FN3O2/c1-11-9-21(10-12(2)23-11)17(22)16-8-15(19-20(16)3)13-4-6-14(18)7-5-13/h4-8,11-12H,9-10H2,1-3H3
InChIKeyIFFYAUGPPDMACX-UHFFFAOYSA-N
XLogP2.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone (CID 42758584) is (2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone is CC1CN(C(=O)c2cc(-c3ccc(F)cc3)nn2C)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone?
The InChIKey is IFFYAUGPPDMACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-11-9-21(10-12(2)23-11)17(22)16-8-15(19-20(16)3)13-4-6-14(18)7-5-13/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone has a molecular weight of 317.36 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]methanone is sourced from PubChem (CID 42758584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).