2-(4-fluorophenyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]morpholine

C21H22FN3O — CID 56868092

IUPAC2-(4-fluorophenyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]morpholine
SMILESCc1cc(-n2cccn2)ccc1CN1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H22FN3O/c1-16-13-20(25-10-2-9-23-25)8-5-18(16)14-24-11-12-26-21(15-24)17-3-6-19(22)7-4-17/h2-10,13,21H,11-12,14-15H2,1H3
InChIKeyKUMWFNNHQPIFJH-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.89
Rot. Bonds4

About 2-(4-fluorophenyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]morpholine

2-(4-fluorophenyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]morpholine (PubChem CID 56868092) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]morpholine
PubChem CID56868092
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name2-(4-fluorophenyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]morpholine
SMILESCc1cc(-n2cccn2)ccc1CN1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H22FN3O/c1-16-13-20(25-10-2-9-23-25)8-5-18(16)14-24-11-12-26-21(15-24)17-3-6-19(22)7-4-17/h2-10,13,21H,11-12,14-15H2,1H3
InChIKeyKUMWFNNHQPIFJH-UHFFFAOYSA-N
XLogP3.89
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]morpholine?
The IUPAC name of 2-(4-fluorophenyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]morpholine (CID 56868092) is 2-(4-fluorophenyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]morpholine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]morpholine?
The canonical SMILES for 2-(4-fluorophenyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]morpholine is Cc1cc(-n2cccn2)ccc1CN1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]morpholine?
The InChIKey is KUMWFNNHQPIFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-16-13-20(25-10-2-9-23-25)8-5-18(16)14-24-11-12-26-21(15-24)17-3-6-19(22)7-4-17/h2-10,13,21H,11-12,14-15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]morpholine?
2-(4-fluorophenyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]morpholine has a molecular weight of 351.43 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]morpholine is sourced from PubChem (CID 56868092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).