(2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone

C19H24FN3O2 — CID 86981283

IUPAC(2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
SMILESCC(C)c1c(C(=O)N2CCOC(C)(C)C2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O2/c1-13(2)17-16(18(24)22-9-10-25-19(3,4)12-22)11-21-23(17)15-7-5-14(20)6-8-15/h5-8,11,13H,9-10,12H2,1-4H3
InChIKeyHBNZBQKRQOMUBA-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.39
Rot. Bonds3

About (2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone

(2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone (PubChem CID 86981283) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
PubChem CID86981283
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
SMILESCC(C)c1c(C(=O)N2CCOC(C)(C)C2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H24FN3O2/c1-13(2)17-16(18(24)22-9-10-25-19(3,4)12-22)11-21-23(17)15-7-5-14(20)6-8-15/h5-8,11,13H,9-10,12H2,1-4H3
InChIKeyHBNZBQKRQOMUBA-UHFFFAOYSA-N
XLogP3.39
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone (CID 86981283) is (2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone is CC(C)c1c(C(=O)N2CCOC(C)(C)C2)cnn1-c1ccc(F)cc1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone?
The InChIKey is HBNZBQKRQOMUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-13(2)17-16(18(24)22-9-10-25-19(3,4)12-22)11-21-23(17)15-7-5-14(20)6-8-15/h5-8,11,13H,9-10,12H2,1-4H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone?
(2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone has a molecular weight of 345.42 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone is sourced from PubChem (CID 86981283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).