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

C16H18FN3O2 — CID 45227096

IUPAC[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H18FN3O2/c1-11-15(9-18-19-11)16(21)20-6-7-22-14(10-20)8-12-2-4-13(17)5-3-12/h2-5,9,14H,6-8,10H2,1H3,(H,18,19)
InChIKeyPLQJJOLSSZJUGQ-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.94
Rot. Bonds3

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

[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone (PubChem CID 45227096) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
PubChem CID45227096
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H18FN3O2/c1-11-15(9-18-19-11)16(21)20-6-7-22-14(10-20)8-12-2-4-13(17)5-3-12/h2-5,9,14H,6-8,10H2,1H3,(H,18,19)
InChIKeyPLQJJOLSSZJUGQ-UHFFFAOYSA-N
XLogP1.94
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone (CID 45227096) is [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone is Cc1[nH]ncc1C(=O)N1CCOC(Cc2ccc(F)cc2)C1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
The InChIKey is PLQJJOLSSZJUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-11-15(9-18-19-11)16(21)20-6-7-22-14(10-20)8-12-2-4-13(17)5-3-12/h2-5,9,14H,6-8,10H2,1H3,(H,18,19).
What are the key properties of [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone?
[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone has a molecular weight of 303.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 45227096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).