6-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-2-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyridazine

C20H13Cl2F3N4O2S — CID 141265214

IUPAC6-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-2-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyridazine
SMILESO=S(=O)(c1ccc(N2C=CC=C(c3ccnn3-c3cccc(Cl)c3Cl)N2)cc1)C(F)(F)F
InChIInChI=1S/C20H13Cl2F3N4O2S/c21-15-3-1-5-18(19(15)22)29-17(10-11-26-29)16-4-2-12-28(27-16)13-6-8-14(9-7-13)32(30,31)20(23,24)25/h1-12,27H
InChIKeySYADKMUCYVHGFS-UHFFFAOYSA-N
MW501.32 g/mol
LogP5.35
Rot. Bonds4

About 6-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-2-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyridazine

6-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-2-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyridazine (PubChem CID 141265214) has the molecular formula C20H13Cl2F3N4O2S and a molecular weight of 501.32 g/mol. Its IUPAC name is 6-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-2-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyridazine.

Molecular Properties

Compound Name6-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-2-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyridazine
PubChem CID141265214
Molecular FormulaC20H13Cl2F3N4O2S
Molecular Weight501.32 g/mol
Exact Mass500.01
IUPAC Name6-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-2-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyridazine
SMILESO=S(=O)(c1ccc(N2C=CC=C(c3ccnn3-c3cccc(Cl)c3Cl)N2)cc1)C(F)(F)F
InChIInChI=1S/C20H13Cl2F3N4O2S/c21-15-3-1-5-18(19(15)22)29-17(10-11-26-29)16-4-2-12-28(27-16)13-6-8-14(9-7-13)32(30,31)20(23,24)25/h1-12,27H
InChIKeySYADKMUCYVHGFS-UHFFFAOYSA-N
XLogP5.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.32
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-2-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyridazine?
The IUPAC name of 6-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-2-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyridazine (CID 141265214) is 6-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-2-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyridazine.
What is the SMILES notation for 6-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-2-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyridazine?
The canonical SMILES for 6-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-2-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyridazine is O=S(=O)(c1ccc(N2C=CC=C(c3ccnn3-c3cccc(Cl)c3Cl)N2)cc1)C(F)(F)F.
What is the InChIKey of 6-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-2-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyridazine?
The InChIKey is SYADKMUCYVHGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2F3N4O2S/c21-15-3-1-5-18(19(15)22)29-17(10-11-26-29)16-4-2-12-28(27-16)13-6-8-14(9-7-13)32(30,31)20(23,24)25/h1-12,27H.
What are the key properties of 6-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-2-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyridazine?
6-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-2-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyridazine has a molecular weight of 501.32 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3-dichlorophenyl)pyrazol-3-yl]-2-[4-(trifluoromethylsulfonyl)phenyl]-1H-pyridazine is sourced from PubChem (CID 141265214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).