3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide

C19H22N4O2S — CID 118200772

IUPAC3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide
SMILESCC(C)(C)c1cccc(S(=O)(=O)Nc2ccnc3cc(C4CC4)nn23)c1
InChIInChI=1S/C19H22N4O2S/c1-19(2,3)14-5-4-6-15(11-14)26(24,25)22-17-9-10-20-18-12-16(13-7-8-13)21-23(17)18/h4-6,9-13,22H,7-8H2,1-3H3
InChIKeyVDOYGTOOTVCKQO-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.70
Rot. Bonds4

About 3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide

3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide (PubChem CID 118200772) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide
PubChem CID118200772
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide
SMILESCC(C)(C)c1cccc(S(=O)(=O)Nc2ccnc3cc(C4CC4)nn23)c1
InChIInChI=1S/C19H22N4O2S/c1-19(2,3)14-5-4-6-15(11-14)26(24,25)22-17-9-10-20-18-12-16(13-7-8-13)21-23(17)18/h4-6,9-13,22H,7-8H2,1-3H3
InChIKeyVDOYGTOOTVCKQO-UHFFFAOYSA-N
XLogP3.70
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide?
The IUPAC name of 3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide (CID 118200772) is 3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide.
What is the SMILES notation for 3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide?
The canonical SMILES for 3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide is CC(C)(C)c1cccc(S(=O)(=O)Nc2ccnc3cc(C4CC4)nn23)c1.
What is the InChIKey of 3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide?
The InChIKey is VDOYGTOOTVCKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-19(2,3)14-5-4-6-15(11-14)26(24,25)22-17-9-10-20-18-12-16(13-7-8-13)21-23(17)18/h4-6,9-13,22H,7-8H2,1-3H3.
What are the key properties of 3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide?
3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide has a molecular weight of 370.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide is sourced from PubChem (CID 118200772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).