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

C22H24ClN3O2 — CID 46031323

IUPAC1-[3-(4-chlorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
SMILESCc1cccc(C2=NN(C(=O)CN3CCOCC3)C(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C22H24ClN3O2/c1-16-3-2-4-18(13-16)20-14-21(17-5-7-19(23)8-6-17)26(24-20)22(27)15-25-9-11-28-12-10-25/h2-8,13,21H,9-12,14-15H2,1H3
InChIKeyDPMOKNFRHRAJLE-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.66
Rot. Bonds4

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

1-[3-(4-chlorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone (PubChem CID 46031323) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
PubChem CID46031323
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name1-[3-(4-chlorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
SMILESCc1cccc(C2=NN(C(=O)CN3CCOCC3)C(c3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C22H24ClN3O2/c1-16-3-2-4-18(13-16)20-14-21(17-5-7-19(23)8-6-17)26(24-20)22(27)15-25-9-11-28-12-10-25/h2-8,13,21H,9-12,14-15H2,1H3
InChIKeyDPMOKNFRHRAJLE-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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-(4-chlorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone (CID 46031323) is 1-[3-(4-chlorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-(4-chlorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone is Cc1cccc(C2=NN(C(=O)CN3CCOCC3)C(c3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The InChIKey is DPMOKNFRHRAJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-16-3-2-4-18(13-16)20-14-21(17-5-7-19(23)8-6-17)26(24-20)22(27)15-25-9-11-28-12-10-25/h2-8,13,21H,9-12,14-15H2,1H3.
What are the key properties of 1-[3-(4-chlorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
1-[3-(4-chlorophenyl)-5-(3-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-(4-chlorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 46031323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).