4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide

C20H22N6O2S — CID 118200756

IUPAC4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide
SMILESCn1cc(-c2cc3nccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)n3n2)cn1
InChIInChI=1S/C20H22N6O2S/c1-20(2,3)15-5-7-16(8-6-15)29(27,28)24-18-9-10-21-19-11-17(23-26(18)19)14-12-22-25(4)13-14/h5-13,24H,1-4H3
InChIKeyNSYCBPMYGRFIEH-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.23
Rot. Bonds4

About 4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide

4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide (PubChem CID 118200756) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide
PubChem CID118200756
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide
SMILESCn1cc(-c2cc3nccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)n3n2)cn1
InChIInChI=1S/C20H22N6O2S/c1-20(2,3)15-5-7-16(8-6-15)29(27,28)24-18-9-10-21-19-11-17(23-26(18)19)14-12-22-25(4)13-14/h5-13,24H,1-4H3
InChIKeyNSYCBPMYGRFIEH-UHFFFAOYSA-N
XLogP3.23
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide with MolForge

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Related Compounds

4-tert-butyl-N-(2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide
CID 118200646
7-chloro-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 171509239
ethane;7-methyl-2-(1-methylimidazol-4-yl)pyrazolo[1,5-a]pyrimidine;7-methyl-2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 171509269
4-tert-butyl-N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]benzenesulfonamide
CID 3781906
3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide
CID 118200772
N-(4-bromo-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)-4-tert-butylbenzenesulfonamide
CID 118197595
4-tert-butyl-N-[8-methyl-2-(1-methylpyrazol-4-yl)-9H-pyrrolo[1,2-a]azepin-5-yl]benzenesulfonamide
CID 123299542
4-tert-butyl-N-(4-cyano-2-pyridin-3-ylpyrazolo[1,5-a]pyridin-7-yl)benzenesulfonamide
CID 118200679
4-tert-butyl-N-[4-chloro-2-(5-methyl-3-pyridinyl)pyrazolo[1,5-a]pyridin-7-yl]benzenesulfonamide
CID 118200706
4-tert-butyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)benzenesulfonamide
CID 24662850
4-tert-butyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683562
N-(4-chloro-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 71972209

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide (CID 118200756) is 4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide is Cn1cc(-c2cc3nccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)n3n2)cn1.
What is the InChIKey of 4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide?
The InChIKey is NSYCBPMYGRFIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-20(2,3)15-5-7-16(8-6-15)29(27,28)24-18-9-10-21-19-11-17(23-26(18)19)14-12-22-25(4)13-14/h5-13,24H,1-4H3.
What are the key properties of 4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide?
4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide has a molecular weight of 410.50 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]benzenesulfonamide is sourced from PubChem (CID 118200756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).