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

C20H19ClFN3O — CID 91835569

IUPAC2-(4-chlorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]morpholine
SMILESFc1ccc(-n2cc(CN3CCOC(c4ccc(Cl)cc4)C3)cn2)cc1
InChIInChI=1S/C20H19ClFN3O/c21-17-3-1-16(2-4-17)20-14-24(9-10-26-20)12-15-11-23-25(13-15)19-7-5-18(22)6-8-19/h1-8,11,13,20H,9-10,12,14H2
InChIKeyPADWFWFKTVZNOQ-UHFFFAOYSA-N
MW371.84 g/mol
LogP4.24
Rot. Bonds4

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

2-(4-chlorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]morpholine (PubChem CID 91835569) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]morpholine
PubChem CID91835569
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC Name2-(4-chlorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]morpholine
SMILESFc1ccc(-n2cc(CN3CCOC(c4ccc(Cl)cc4)C3)cn2)cc1
InChIInChI=1S/C20H19ClFN3O/c21-17-3-1-16(2-4-17)20-14-24(9-10-26-20)12-15-11-23-25(13-15)19-7-5-18(22)6-8-19/h1-8,11,13,20H,9-10,12,14H2
InChIKeyPADWFWFKTVZNOQ-UHFFFAOYSA-N
XLogP4.24
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]morpholine (CID 91835569) is 2-(4-chlorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]morpholine is Fc1ccc(-n2cc(CN3CCOC(c4ccc(Cl)cc4)C3)cn2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]morpholine?
The InChIKey is PADWFWFKTVZNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c21-17-3-1-16(2-4-17)20-14-24(9-10-26-20)12-15-11-23-25(13-15)19-7-5-18(22)6-8-19/h1-8,11,13,20H,9-10,12,14H2.
What are the key properties of 2-(4-chlorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]morpholine?
2-(4-chlorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]morpholine has a molecular weight of 371.84 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]morpholine is sourced from PubChem (CID 91835569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).