[2-(4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

C15H16FN3O2 — CID 56876630

IUPAC[2-(4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCOC(c3ccc(F)cc3)C2)n[nH]1
InChIInChI=1S/C15H16FN3O2/c1-10-8-13(18-17-10)15(20)19-6-7-21-14(9-19)11-2-4-12(16)5-3-11/h2-5,8,14H,6-7,9H2,1H3,(H,17,18)
InChIKeyUIYKACSOQUQHGR-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.07
Rot. Bonds2

About [2-(4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone

[2-(4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 56876630) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is [2-(4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID56876630
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name[2-(4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCOC(c3ccc(F)cc3)C2)n[nH]1
InChIInChI=1S/C15H16FN3O2/c1-10-8-13(18-17-10)15(20)19-6-7-21-14(9-19)11-2-4-12(16)5-3-11/h2-5,8,14H,6-7,9H2,1H3,(H,17,18)
InChIKeyUIYKACSOQUQHGR-UHFFFAOYSA-N
XLogP2.07
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone (CID 56876630) is [2-(4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCOC(c3ccc(F)cc3)C2)n[nH]1.
What is the InChIKey of [2-(4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is UIYKACSOQUQHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-10-8-13(18-17-10)15(20)19-6-7-21-14(9-19)11-2-4-12(16)5-3-11/h2-5,8,14H,6-7,9H2,1H3,(H,17,18).
What are the key properties of [2-(4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone?
[2-(4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 289.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)morpholin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 56876630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).