1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone

C22H24ClN3O2 — CID 46030805

IUPAC1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(C2=NN(C(=O)CN3CCOCC3)C(c3ccccc3Cl)C2)cc1
InChIInChI=1S/C22H24ClN3O2/c1-16-6-8-17(9-7-16)20-14-21(18-4-2-3-5-19(18)23)26(24-20)22(27)15-25-10-12-28-13-11-25/h2-9,21H,10-15H2,1H3
InChIKeyPHOCHXGWJRNUGW-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.66
Rot. Bonds4

About 1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone

1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone (PubChem CID 46030805) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
PubChem CID46030805
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(C2=NN(C(=O)CN3CCOCC3)C(c3ccccc3Cl)C2)cc1
InChIInChI=1S/C22H24ClN3O2/c1-16-6-8-17(9-7-16)20-14-21(18-4-2-3-5-19(18)23)26(24-20)22(27)15-25-10-12-28-13-11-25/h2-9,21H,10-15H2,1H3
InChIKeyPHOCHXGWJRNUGW-UHFFFAOYSA-N
XLogP3.66
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone 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 1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone (CID 46030805) is 1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone is Cc1ccc(C2=NN(C(=O)CN3CCOCC3)C(c3ccccc3Cl)C2)cc1.
What is the InChIKey of 1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The InChIKey is PHOCHXGWJRNUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-16-6-8-17(9-7-16)20-14-21(18-4-2-3-5-19(18)23)26(24-20)22(27)15-25-10-12-28-13-11-25/h2-9,21H,10-15H2,1H3.
What are the key properties of 1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone has a molecular weight of 397.91 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 46030805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).