5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine

C20H17N3O4S2 — CID 122193262

IUPAC5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(S(C)(=O)=O)c4)nc23)cc1
InChIInChI=1S/C20H17N3O4S2/c1-28(24,25)16-8-6-14(7-9-16)18-13-21-23-11-10-19(22-20(18)23)15-4-3-5-17(12-15)29(2,26)27/h3-13H,1-2H3
InChIKeyIYOROWVVDLEHNZ-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.87
Rot. Bonds4

About 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine

5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 122193262) has the molecular formula C20H17N3O4S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID122193262
Molecular FormulaC20H17N3O4S2
Molecular Weight427.51 g/mol
Exact Mass427.07
IUPAC Name5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(S(C)(=O)=O)c4)nc23)cc1
InChIInChI=1S/C20H17N3O4S2/c1-28(24,25)16-8-6-14(7-9-16)18-13-21-23-11-10-19(22-20(18)23)15-4-3-5-17(12-15)29(2,26)27/h3-13H,1-2H3
InChIKeyIYOROWVVDLEHNZ-UHFFFAOYSA-N
XLogP2.87
TPSA98.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine
CID 122193258
1,2-difluoro-4-(3-methylphenyl)-5-(4-methylsulfonylphenyl)benzene
CID 23451201
1,2-difluoro-4-(3-methylsulfonylphenyl)benzene
CID 57118843
benzene;ethane;3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 161288697
5-(4-methylsulfonylphenyl)-3-[3-[5-(4-methylsulfonylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529599
2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol
CID 172649274
1-(3-methylsulfonylphenyl)pyrrole
CID 67689461
N-(benzenesulfonyl)-3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58628533
1,2-bis(3-methoxyphenyl)-1,2-bis[8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]hydrazine
CID 68796293
3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide
CID 178179257
methyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate
CID 134558467
6-fluoro-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 141282721

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine (CID 122193262) is 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine is CS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(S(C)(=O)=O)c4)nc23)cc1.
What is the InChIKey of 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is IYOROWVVDLEHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S2/c1-28(24,25)16-8-6-14(7-9-16)18-13-21-23-11-10-19(22-20(18)23)15-4-3-5-17(12-15)29(2,26)27/h3-13H,1-2H3.
What are the key properties of 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 427.51 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 122193262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).