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

C27H24N4O2 — CID 127028131

IUPAC3-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESCOc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C27H24N4O2/c1-32-22-12-8-20(9-13-22)25-18-26(21-10-14-23(33-2)15-11-21)31(30-25)27-17-16-24(28-29-27)19-6-4-3-5-7-19/h3-17,26H,18H2,1-2H3
InChIKeyAEEFYIUPUCPDBR-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.52
Rot. Bonds6

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

3-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (PubChem CID 127028131) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.

Molecular Properties

Compound Name3-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
PubChem CID127028131
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name3-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESCOc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccc(OC)cc3)C2)cc1
InChIInChI=1S/C27H24N4O2/c1-32-22-12-8-20(9-13-22)25-18-26(21-10-14-23(33-2)15-11-21)31(30-25)27-17-16-24(28-29-27)19-6-4-3-5-7-19/h3-17,26H,18H2,1-2H3
InChIKeyAEEFYIUPUCPDBR-UHFFFAOYSA-N
XLogP5.52
TPSA59.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The IUPAC name of 3-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (CID 127028131) is 3-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.
What is the SMILES notation for 3-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The canonical SMILES for 3-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is COc1ccc(C2=NN(c3ccc(-c4ccccc4)nn3)C(c3ccc(OC)cc3)C2)cc1.
What is the InChIKey of 3-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The InChIKey is AEEFYIUPUCPDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-32-22-12-8-20(9-13-22)25-18-26(21-10-14-23(33-2)15-11-21)31(30-25)27-17-16-24(28-29-27)19-6-4-3-5-7-19/h3-17,26H,18H2,1-2H3.
What are the key properties of 3-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
3-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine has a molecular weight of 436.52 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is sourced from PubChem (CID 127028131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).