[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone

C16H18FN3O2 — CID 45178237

IUPAC[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H18FN3O2/c1-19-15(6-7-18-19)16(21)20-8-9-22-14(11-20)10-12-2-4-13(17)5-3-12/h2-7,14H,8-11H2,1H3
InChIKeyFGRPZNZQHYGGRQ-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.64
Rot. Bonds3

About [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone

[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 45178237) 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]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID45178237
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCOC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H18FN3O2/c1-19-15(6-7-18-19)16(21)20-8-9-22-14(11-20)10-12-2-4-13(17)5-3-12/h2-7,14H,8-11H2,1H3
InChIKeyFGRPZNZQHYGGRQ-UHFFFAOYSA-N
XLogP1.64
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone (CID 45178237) is [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCOC(Cc2ccc(F)cc2)C1.
What is the InChIKey of [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is FGRPZNZQHYGGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-19-15(6-7-18-19)16(21)20-8-9-22-14(11-20)10-12-2-4-13(17)5-3-12/h2-7,14H,8-11H2,1H3.
What are the key properties of [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
[2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 303.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 45178237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).