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

C27H24N4O2 — CID 127028767

IUPAC3-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2c2ccc(-c3ccccc3)nn2)c(OC)c1
InChIInChI=1S/C27H24N4O2/c1-32-21-13-14-22(26(17-21)33-2)25-18-24(20-11-7-4-8-12-20)30-31(25)27-16-15-23(28-29-27)19-9-5-3-6-10-19/h3-17,25H,18H2,1-2H3
InChIKeyZIGIUDOYNNFIKM-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.52
Rot. Bonds6

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

3-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (PubChem CID 127028767) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.

Molecular Properties

Compound Name3-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
PubChem CID127028767
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name3-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2c2ccc(-c3ccccc3)nn2)c(OC)c1
InChIInChI=1S/C27H24N4O2/c1-32-21-13-14-22(26(17-21)33-2)25-18-24(20-11-7-4-8-12-20)30-31(25)27-16-15-23(28-29-27)19-9-5-3-6-10-19/h3-17,25H,18H2,1-2H3
InChIKeyZIGIUDOYNNFIKM-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-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The IUPAC name of 3-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (CID 127028767) is 3-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.
What is the SMILES notation for 3-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The canonical SMILES for 3-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(-c3ccccc3)nn2)c(OC)c1.
What is the InChIKey of 3-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The InChIKey is ZIGIUDOYNNFIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-32-21-13-14-22(26(17-21)33-2)25-18-24(20-11-7-4-8-12-20)30-31(25)27-16-15-23(28-29-27)19-9-5-3-6-10-19/h3-17,25H,18H2,1-2H3.
What are the key properties of 3-[3-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
3-[3-(2,4-dimethoxyphenyl)-5-phenyl-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-(2,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is sourced from PubChem (CID 127028767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).