3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine

C28H26N4O3 — CID 127029073

IUPAC3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine
SMILESCOc1cc(C2CC(c3ccccc3)=NN2c2ccc(-c3ccccc3)nn2)cc(OC)c1OC
InChIInChI=1S/C28H26N4O3/c1-33-25-16-21(17-26(34-2)28(25)35-3)24-18-23(20-12-8-5-9-13-20)31-32(24)27-15-14-22(29-30-27)19-10-6-4-7-11-19/h4-17,24H,18H2,1-3H3
InChIKeyCMKJQYZYOHVUOM-UHFFFAOYSA-N
MW466.54 g/mol
LogP5.53
Rot. Bonds7

About 3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine

3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine (PubChem CID 127029073) has the molecular formula C28H26N4O3 and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine.

Molecular Properties

Compound Name3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine
PubChem CID127029073
Molecular FormulaC28H26N4O3
Molecular Weight466.54 g/mol
Exact Mass466.20
IUPAC Name3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine
SMILESCOc1cc(C2CC(c3ccccc3)=NN2c2ccc(-c3ccccc3)nn2)cc(OC)c1OC
InChIInChI=1S/C28H26N4O3/c1-33-25-16-21(17-26(34-2)28(25)35-3)24-18-23(20-12-8-5-9-13-20)31-32(24)27-15-14-22(29-30-27)19-10-6-4-7-11-19/h4-17,24H,18H2,1-3H3
InChIKeyCMKJQYZYOHVUOM-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

3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 127028777
(3S)-2,5-diphenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7195893
3-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 127028763
3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 164946027
(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7380769
3-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 164946045
4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
CID 66488350
5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883031
2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid
CID 7675432
5-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole
CID 54589645
4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine
CID 98593755
4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde
CID 7481897

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine?
The IUPAC name of 3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine (CID 127029073) is 3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine.
What is the SMILES notation for 3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine?
The canonical SMILES for 3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine is COc1cc(C2CC(c3ccccc3)=NN2c2ccc(-c3ccccc3)nn2)cc(OC)c1OC.
What is the InChIKey of 3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine?
The InChIKey is CMKJQYZYOHVUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3/c1-33-25-16-21(17-26(34-2)28(25)35-3)24-18-23(20-12-8-5-9-13-20)31-32(24)27-15-14-22(29-30-27)19-10-6-4-7-11-19/h4-17,24H,18H2,1-3H3.
What are the key properties of 3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine?
3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine 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-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine is sourced from PubChem (CID 127029073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).