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

C22H19N3O4S2 — CID 122193263

IUPAC5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)nc23)cc1
InChIInChI=1S/C22H19N3O4S2/c1-30(26,27)17-7-5-15(6-8-17)20-14-23-25-12-11-21(24-22(20)25)16-3-2-4-19(13-16)31(28,29)18-9-10-18/h2-8,11-14,18H,9-10H2,1H3
InChIKeyWVNMVHPPTLOMRA-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.40
Rot. Bonds5

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

5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 122193263) has the molecular formula C22H19N3O4S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID122193263
Molecular FormulaC22H19N3O4S2
Molecular Weight453.55 g/mol
Exact Mass453.08
IUPAC Name5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)nc23)cc1
InChIInChI=1S/C22H19N3O4S2/c1-30(26,27)17-7-5-15(6-8-17)20-14-23-25-12-11-21(24-22(20)25)16-3-2-4-19(13-16)31(28,29)18-9-10-18/h2-8,11-14,18H,9-10H2,1H3
InChIKeyWVNMVHPPTLOMRA-UHFFFAOYSA-N
XLogP3.40
TPSA98.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine (CID 122193263) is 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine is CS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(S(=O)(=O)C5CC5)c4)nc23)cc1.
What is the InChIKey of 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WVNMVHPPTLOMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S2/c1-30(26,27)17-7-5-15(6-8-17)20-14-23-25-12-11-21(24-22(20)25)16-3-2-4-19(13-16)31(28,29)18-9-10-18/h2-8,11-14,18H,9-10H2,1H3.
What are the key properties of 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine?
5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 453.55 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 122193263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).