[1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone

C20H17ClFN3O2 — CID 42758383

IUPAC[1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccccc2F)nn1-c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C20H17ClFN3O2/c21-15-6-2-4-8-18(15)25-19(20(26)24-9-11-27-12-10-24)13-17(23-25)14-5-1-3-7-16(14)22/h1-8,13H,9-12H2
InChIKeyPVMVNOJGHMLYLJ-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.80
Rot. Bonds3

About [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone

[1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 42758383) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
PubChem CID42758383
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name[1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccccc2F)nn1-c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C20H17ClFN3O2/c21-15-6-2-4-8-18(15)25-19(20(26)24-9-11-27-12-10-24)13-17(23-25)14-5-1-3-7-16(14)22/h1-8,13H,9-12H2
InChIKeyPVMVNOJGHMLYLJ-UHFFFAOYSA-N
XLogP3.80
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone (CID 42758383) is [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2ccccc2F)nn1-c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is PVMVNOJGHMLYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c21-15-6-2-4-8-18(15)25-19(20(26)24-9-11-27-12-10-24)13-17(23-25)14-5-1-3-7-16(14)22/h1-8,13H,9-12H2.
What are the key properties of [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
[1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 385.83 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42758383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).