1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[5-(4-methoxyphenyl)tetrazol-1-yl]ethanone

C26H24N6O3 — CID 66573545

IUPAC1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[5-(4-methoxyphenyl)tetrazol-1-yl]ethanone
SMILESCOc1ccc(-c2nnnn2CC(=O)N2N=C(c3ccccc3)CC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24N6O3/c1-34-21-12-8-19(9-13-21)24-16-23(18-6-4-3-5-7-18)28-32(24)25(33)17-31-26(27-29-30-31)20-10-14-22(35-2)15-11-20/h3-15,24H,16-17H2,1-2H3
InChIKeyKJSYLRZGUWXXAA-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.74
Rot. Bonds7

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

1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[5-(4-methoxyphenyl)tetrazol-1-yl]ethanone (PubChem CID 66573545) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[5-(4-methoxyphenyl)tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[5-(4-methoxyphenyl)tetrazol-1-yl]ethanone
PubChem CID66573545
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[5-(4-methoxyphenyl)tetrazol-1-yl]ethanone
SMILESCOc1ccc(-c2nnnn2CC(=O)N2N=C(c3ccccc3)CC2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H24N6O3/c1-34-21-12-8-19(9-13-21)24-16-23(18-6-4-3-5-7-18)28-32(24)25(33)17-31-26(27-29-30-31)20-10-14-22(35-2)15-11-20/h3-15,24H,16-17H2,1-2H3
InChIKeyKJSYLRZGUWXXAA-UHFFFAOYSA-N
XLogP3.74
TPSA94.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[5-(4-methoxyphenyl)tetrazol-1-yl]ethanone?
The IUPAC name of 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[5-(4-methoxyphenyl)tetrazol-1-yl]ethanone (CID 66573545) is 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[5-(4-methoxyphenyl)tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[5-(4-methoxyphenyl)tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[5-(4-methoxyphenyl)tetrazol-1-yl]ethanone is COc1ccc(-c2nnnn2CC(=O)N2N=C(c3ccccc3)CC2c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[5-(4-methoxyphenyl)tetrazol-1-yl]ethanone?
The InChIKey is KJSYLRZGUWXXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-34-21-12-8-19(9-13-21)24-16-23(18-6-4-3-5-7-18)28-32(24)25(33)17-31-26(27-29-30-31)20-10-14-22(35-2)15-11-20/h3-15,24H,16-17H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[5-(4-methoxyphenyl)tetrazol-1-yl]ethanone?
1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[5-(4-methoxyphenyl)tetrazol-1-yl]ethanone has a molecular weight of 468.52 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-[5-(4-methoxyphenyl)tetrazol-1-yl]ethanone is sourced from PubChem (CID 66573545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).