7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C19H16Cl2N4O2S — CID 91555069

IUPAC7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2cc(C)nn2C(c2ccc(Cl)c(Cl)c2)C1S(=O)(=O)c1ccccn1
InChIInChI=1S/C19H16Cl2N4O2S/c1-11-9-16-23-12(2)19(28(26,27)17-5-3-4-8-22-17)18(25(16)24-11)13-6-7-14(20)15(21)10-13/h3-10,18-19H,1-2H3
InChIKeyBQIVTCHTKVVODL-UHFFFAOYSA-N
MW435.34 g/mol
LogP4.43
Rot. Bonds3

About 7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 91555069) has the molecular formula C19H16Cl2N4O2S and a molecular weight of 435.34 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID91555069
Molecular FormulaC19H16Cl2N4O2S
Molecular Weight435.34 g/mol
Exact Mass434.04
IUPAC Name7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=Nc2cc(C)nn2C(c2ccc(Cl)c(Cl)c2)C1S(=O)(=O)c1ccccn1
InChIInChI=1S/C19H16Cl2N4O2S/c1-11-9-16-23-12(2)19(28(26,27)17-5-3-4-8-22-17)18(25(16)24-11)13-6-7-14(20)15(21)10-13/h3-10,18-19H,1-2H3
InChIKeyBQIVTCHTKVVODL-UHFFFAOYSA-N
XLogP4.43
TPSA77.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

2-[5-(3,4-Dichlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 10113880
2-[3-[Chloro(difluoro)methyl]-5-(4-chlorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 10136768
7-(3,4-Dichlorophenyl)-6-(4-fluorophenyl)sulfonyl-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 91140720
6-(4-Chlorophenyl)sulfonyl-7-(3,4-dichlorophenyl)-5-methyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 91306349
7-(3,4-Dichlorophenyl)-2,5-dimethyl-6-[4-(trifluoromethyl)phenyl]sulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 91355307
7-(4-Chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 91483285
7-(4-Chlorophenyl)-5-methyl-6-pyridin-2-ylsulfonyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135463468
5-[5-(3,4-Dichlorophenyl)-3-ethylsulfonyl-2-pyridinyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 156834216
5-[5-(3,4-Dichlorophenyl)-3-ethylsulfonyl-2-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834321
3-(3-Chlorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 70895353
6-(Benzenesulfonyl)-7-(3,4-dichlorophenyl)-2,5-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 90808568
7-(3,4-Dichlorophenyl)-2,5-dimethyl-6-(4-methylphenyl)sulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 91109744

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 91555069) is 7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=Nc2cc(C)nn2C(c2ccc(Cl)c(Cl)c2)C1S(=O)(=O)c1ccccn1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is BQIVTCHTKVVODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2S/c1-11-9-16-23-12(2)19(28(26,27)17-5-3-4-8-22-17)18(25(16)24-11)13-6-7-14(20)15(21)10-13/h3-10,18-19H,1-2H3.
What are the key properties of 7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 435.34 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-2,5-dimethyl-6-pyridin-2-ylsulfonyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91555069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).