1-[3-(2-methoxyphenyl)-5-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone

C22H25N3O3 — CID 71477207

IUPAC1-[3-(2-methoxyphenyl)-5-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccccc1C1CC(c2ccc(N3CCOCC3)cc2)=NN1C(C)=O
InChIInChI=1S/C22H25N3O3/c1-16(26)25-21(19-5-3-4-6-22(19)27-2)15-20(23-25)17-7-9-18(10-8-17)24-11-13-28-14-12-24/h3-10,21H,11-15H2,1-2H3
InChIKeyISCQGDUQTYCHFI-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.23
Rot. Bonds4

About 1-[3-(2-methoxyphenyl)-5-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone

1-[3-(2-methoxyphenyl)-5-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 71477207) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)-5-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)-5-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID71477207
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name1-[3-(2-methoxyphenyl)-5-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCOc1ccccc1C1CC(c2ccc(N3CCOCC3)cc2)=NN1C(C)=O
InChIInChI=1S/C22H25N3O3/c1-16(26)25-21(19-5-3-4-6-22(19)27-2)15-20(23-25)17-7-9-18(10-8-17)24-11-13-28-14-12-24/h3-10,21H,11-15H2,1-2H3
InChIKeyISCQGDUQTYCHFI-UHFFFAOYSA-N
XLogP3.23
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)-5-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[3-(2-methoxyphenyl)-5-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 71477207) is 1-[3-(2-methoxyphenyl)-5-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)-5-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[3-(2-methoxyphenyl)-5-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone is COc1ccccc1C1CC(c2ccc(N3CCOCC3)cc2)=NN1C(C)=O.
What is the InChIKey of 1-[3-(2-methoxyphenyl)-5-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is ISCQGDUQTYCHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16(26)25-21(19-5-3-4-6-22(19)27-2)15-20(23-25)17-7-9-18(10-8-17)24-11-13-28-14-12-24/h3-10,21H,11-15H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyphenyl)-5-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[3-(2-methoxyphenyl)-5-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 379.46 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenyl)-5-(4-morpholin-4-ylphenyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 71477207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).