3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine

C28H25ClN4O3 — CID 127028777

IUPAC3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESCOc1cc(C2CC(c3ccc(Cl)cc3)=NN2c2ccc(-c3ccccc3)nn2)cc(OC)c1OC
InChIInChI=1S/C28H25ClN4O3/c1-34-25-15-20(16-26(35-2)28(25)36-3)24-17-23(19-9-11-21(29)12-10-19)32-33(24)27-14-13-22(30-31-27)18-7-5-4-6-8-18/h4-16,24H,17H2,1-3H3
InChIKeyBONCSDYJDWKSIW-UHFFFAOYSA-N
MW500.99 g/mol
LogP6.18
Rot. Bonds7

About 3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine

3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (PubChem CID 127028777) has the molecular formula C28H25ClN4O3 and a molecular weight of 500.99 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
PubChem CID127028777
Molecular FormulaC28H25ClN4O3
Molecular Weight500.99 g/mol
Exact Mass500.16
IUPAC Name3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
SMILESCOc1cc(C2CC(c3ccc(Cl)cc3)=NN2c2ccc(-c3ccccc3)nn2)cc(OC)c1OC
InChIInChI=1S/C28H25ClN4O3/c1-34-25-15-20(16-26(35-2)28(25)36-3)24-17-23(19-9-11-21(29)12-10-19)32-33(24)27-14-13-22(30-31-27)18-7-5-4-6-8-18/h4-16,24H,17H2,1-3H3
InChIKeyBONCSDYJDWKSIW-UHFFFAOYSA-N
XLogP6.18
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.99
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine
CID 127029073
3-[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 127028763
(3S)-2,5-diphenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7195893
5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883031
3-[5-(2-chlorophenyl)-3-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 164946045
3-[3-(4-fluorophenyl)-5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine
CID 164946027
4-(4-chlorophenyl)-2-[(3R)-5-methyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-1,3-thiazole
CID 41087916
(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7380769
4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
CID 66488350
(3S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453358
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142879
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The IUPAC name of 3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine (CID 127028777) is 3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The canonical SMILES for 3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is COc1cc(C2CC(c3ccc(Cl)cc3)=NN2c2ccc(-c3ccccc3)nn2)cc(OC)c1OC.
What is the InChIKey of 3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
The InChIKey is BONCSDYJDWKSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN4O3/c1-34-25-15-20(16-26(35-2)28(25)36-3)24-17-23(19-9-11-21(29)12-10-19)32-33(24)27-14-13-22(30-31-27)18-7-5-4-6-8-18/h4-16,24H,17H2,1-3H3.
What are the key properties of 3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine?
3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine has a molecular weight of 500.99 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-6-phenylpyridazine is sourced from PubChem (CID 127028777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).