4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine

C22H23ClFN3O — CID 55832178

IUPAC4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine
SMILESCc1nn(Cc2ccccc2)c(Cl)c1CN1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C22H23ClFN3O/c1-16-20(22(23)27(25-16)13-17-5-3-2-4-6-17)14-26-11-12-28-21(15-26)18-7-9-19(24)10-8-18/h2-10,21H,11-15H2,1H3
InChIKeyDOLSYVNWLHUVQQ-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.61
Rot. Bonds5

About 4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine

4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine (PubChem CID 55832178) has the molecular formula C22H23ClFN3O and a molecular weight of 399.90 g/mol. Its IUPAC name is 4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine
PubChem CID55832178
Molecular FormulaC22H23ClFN3O
Molecular Weight399.90 g/mol
Exact Mass399.15
IUPAC Name4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine
SMILESCc1nn(Cc2ccccc2)c(Cl)c1CN1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C22H23ClFN3O/c1-16-20(22(23)27(25-16)13-17-5-3-2-4-6-17)14-26-11-12-28-21(15-26)18-7-9-19(24)10-8-18/h2-10,21H,11-15H2,1H3
InChIKeyDOLSYVNWLHUVQQ-UHFFFAOYSA-N
XLogP4.61
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine?
The IUPAC name of 4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine (CID 55832178) is 4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine.
What is the SMILES notation for 4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine?
The canonical SMILES for 4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine is Cc1nn(Cc2ccccc2)c(Cl)c1CN1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine?
The InChIKey is DOLSYVNWLHUVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O/c1-16-20(22(23)27(25-16)13-17-5-3-2-4-6-17)14-26-11-12-28-21(15-26)18-7-9-19(24)10-8-18/h2-10,21H,11-15H2,1H3.
What are the key properties of 4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine?
4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine has a molecular weight of 399.90 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyl-5-chloro-3-methylpyrazol-4-yl)methyl]-2-(4-fluorophenyl)morpholine is sourced from PubChem (CID 55832178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).