4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine

C15H17ClFN3O — CID 140655061

IUPAC4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine
SMILESCc1nn(C)c(N2CCOCC2)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFN3O/c1-10-14(12-4-3-11(17)9-13(12)16)15(19(2)18-10)20-5-7-21-8-6-20/h3-4,9H,5-8H2,1-2H3
InChIKeySOGYGSTYOFZGLZ-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.02
Rot. Bonds2

About 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine

4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine (PubChem CID 140655061) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine
PubChem CID140655061
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine
SMILESCc1nn(C)c(N2CCOCC2)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFN3O/c1-10-14(12-4-3-11(17)9-13(12)16)15(19(2)18-10)20-5-7-21-8-6-20/h3-4,9H,5-8H2,1-2H3
InChIKeySOGYGSTYOFZGLZ-UHFFFAOYSA-N
XLogP3.02
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine?
The IUPAC name of 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine (CID 140655061) is 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine.
What is the SMILES notation for 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine?
The canonical SMILES for 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine is Cc1nn(C)c(N2CCOCC2)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine?
The InChIKey is SOGYGSTYOFZGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-10-14(12-4-3-11(17)9-13(12)16)15(19(2)18-10)20-5-7-21-8-6-20/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine?
4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine has a molecular weight of 309.77 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine is sourced from PubChem (CID 140655061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).