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

C21H22ClN3O2 — CID 46154160

IUPAC1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1N=C(c2ccccc2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O2/c22-18-8-6-17(7-9-18)20-14-19(16-4-2-1-3-5-16)23-25(20)21(26)15-24-10-12-27-13-11-24/h1-9,20H,10-15H2
InChIKeyDFLUPLOLZUSNGY-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.35
Rot. Bonds4

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

1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone (PubChem CID 46154160) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
PubChem CID46154160
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1N=C(c2ccccc2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN3O2/c22-18-8-6-17(7-9-18)20-14-19(16-4-2-1-3-5-16)23-25(20)21(26)15-24-10-12-27-13-11-24/h1-9,20H,10-15H2
InChIKeyDFLUPLOLZUSNGY-UHFFFAOYSA-N
XLogP3.35
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone (CID 46154160) is 1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1N=C(c2ccccc2)CC1c1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The InChIKey is DFLUPLOLZUSNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-18-8-6-17(7-9-18)20-14-19(16-4-2-1-3-5-16)23-25(20)21(26)15-24-10-12-27-13-11-24/h1-9,20H,10-15H2.
What are the key properties of 1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone has a molecular weight of 383.88 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 46154160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).