3-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine

C28H26N4O3 — CID 127028445

IUPAC3-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESCOc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccc(OC)cc3OC)C2)cc1
InChIInChI=1S/C28H26N4O3/c1-33-21-11-9-20(10-12-21)25-18-26(23-14-13-22(34-2)17-27(23)35-3)32(31-25)28-16-15-24(29-30-28)19-7-5-4-6-8-19/h4-17,26H,18H2,1-3H3
InChIKeyXSFAVRGUJFVBFF-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.53
Rot. Bonds7

About 3-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine

3-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (PubChem CID 127028445) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.

Molecular Properties

Compound Name3-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
PubChem CID127028445
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name3-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESCOc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccc(OC)cc3OC)C2)cc1
InChIInChI=1S/C28H26N4O3/c1-33-21-11-9-20(10-12-21)25-18-26(23-14-13-22(34-2)17-27(23)35-3)32(31-25)28-16-15-24(29-30-28)19-7-5-4-6-8-19/h4-17,26H,18H2,1-3H3
InChIKeyXSFAVRGUJFVBFF-UHFFFAOYSA-N
XLogP5.53
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.54
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

US11208399, Example 82
CID 155284860
Cyclohexyl-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 654107
3,4-Bis(4-methoxyphenyl)-6-[n-(n-propyl)-2,4-difluoroanilino]pyridazine
CID 18759995
US11208399, Example 81
CID 155284783
(4-Methoxy-benzyl)-[6-(4-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 654590
(4-Methoxy-benzyl)-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 6411205
3-[3-(2,4-Dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 127028767
3-[3-(4-Fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 127029079
3-(2-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyridazine
CID 71528509
6-Benzylamino-3,4-bis(4-methoxyphenyl)pyridazine
CID 18760036
3-[3,5-Bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 127028131
3-[5-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 127028446

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The IUPAC name of 3-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (CID 127028445) is 3-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.
What is the SMILES notation for 3-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The canonical SMILES for 3-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is COc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccc(OC)cc3OC)C2)cc1.
What is the InChIKey of 3-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The InChIKey is XSFAVRGUJFVBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-33-21-11-9-20(10-12-21)25-18-26(23-14-13-22(34-2)17-27(23)35-3)32(31-25)28-16-15-24(29-30-28)19-7-5-4-6-8-19/h4-17,26H,18H2,1-3H3.
What are the key properties of 3-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
3-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine has a molecular weight of 466.54 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is sourced from PubChem (CID 127028445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).