8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine

C25H19ClN4O2S — CID 134717316

IUPAC8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine
SMILESCc1ccc(S(=O)(=O)c2nnc3c(-c4cccc(Cl)c4)c(C)nn3c2-c2ccccc2)cc1
InChIInChI=1S/C25H19ClN4O2S/c1-16-11-13-21(14-12-16)33(31,32)25-23(18-7-4-3-5-8-18)30-24(27-28-25)22(17(2)29-30)19-9-6-10-20(26)15-19/h3-15H,1-2H3
InChIKeyFPTRKFHMGSHJBB-UHFFFAOYSA-N
MW474.97 g/mol
LogP5.56
Rot. Bonds4

About 8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine

8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine (PubChem CID 134717316) has the molecular formula C25H19ClN4O2S and a molecular weight of 474.97 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine.

Molecular Properties

Compound Name8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine
PubChem CID134717316
Molecular FormulaC25H19ClN4O2S
Molecular Weight474.97 g/mol
Exact Mass474.09
IUPAC Name8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine
SMILESCc1ccc(S(=O)(=O)c2nnc3c(-c4cccc(Cl)c4)c(C)nn3c2-c2ccccc2)cc1
InChIInChI=1S/C25H19ClN4O2S/c1-16-11-13-21(14-12-16)33(31,32)25-23(18-7-4-3-5-8-18)30-24(27-28-25)22(17(2)29-30)19-9-6-10-20(26)15-19/h3-15H,1-2H3
InChIKeyFPTRKFHMGSHJBB-UHFFFAOYSA-N
XLogP5.56
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.97
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzenesulfonyl)-11,13-dimethyl-6-phenyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
CID 139226674
5-(3-chlorophenyl)-4-methyl-12-piperidin-1-yl-2,3,7,8,11,13-hexazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 135904438
7-chloro-3-(3-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274295
7-chloro-3-(3-chlorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidine
CID 82274522
5-(3-chlorophenyl)-6-methyl-7-(4-methylphenyl)sulfonyl-2-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 175699340
3-(3-chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 16653171
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CID 43840841
7-(3-chlorophenyl)-2-methyl-3-(4-methylphenyl)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidine
CID 141325533
5-(3-chlorophenyl)-11-(2-methoxyphenyl)-4-methyl-2,3,7,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 25252325
5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole
CID 15359150
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
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Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine?
The IUPAC name of 8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine (CID 134717316) is 8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine.
What is the SMILES notation for 8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine?
The canonical SMILES for 8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine is Cc1ccc(S(=O)(=O)c2nnc3c(-c4cccc(Cl)c4)c(C)nn3c2-c2ccccc2)cc1.
What is the InChIKey of 8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine?
The InChIKey is FPTRKFHMGSHJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O2S/c1-16-11-13-21(14-12-16)33(31,32)25-23(18-7-4-3-5-8-18)30-24(27-28-25)22(17(2)29-30)19-9-6-10-20(26)15-19/h3-15H,1-2H3.
What are the key properties of 8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine?
8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine has a molecular weight of 474.97 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-7-methyl-3-(4-methylphenyl)sulfonyl-4-phenylpyrazolo[5,1-c][1,2,4]triazine is sourced from PubChem (CID 134717316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).