3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide

C18H23N5O2S — CID 178179257

IUPAC3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2ccn3nc(N)c(C(C)(C)C)c3n2)c1
InChIInChI=1S/C18H23N5O2S/c1-18(2,3)15-16(19)21-23-10-9-14(20-17(15)23)12-7-6-8-13(11-12)26(24,25)22(4)5/h6-11H,1-5H3,(H2,19,21)
InChIKeyDYXKVNGUIYGSIO-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.53
Rot. Bonds3

About 3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide

3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide (PubChem CID 178179257) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide
PubChem CID178179257
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(-c2ccn3nc(N)c(C(C)(C)C)c3n2)c1
InChIInChI=1S/C18H23N5O2S/c1-18(2,3)15-16(19)21-23-10-9-14(20-17(15)23)12-7-6-8-13(11-12)26(24,25)22(4)5/h6-11H,1-5H3,(H2,19,21)
InChIKeyDYXKVNGUIYGSIO-UHFFFAOYSA-N
XLogP2.53
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide (CID 178179257) is 3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(-c2ccn3nc(N)c(C(C)(C)C)c3n2)c1.
What is the InChIKey of 3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is DYXKVNGUIYGSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-18(2,3)15-16(19)21-23-10-9-14(20-17(15)23)12-7-6-8-13(11-12)26(24,25)22(4)5/h6-11H,1-5H3,(H2,19,21).
What are the key properties of 3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide?
3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 178179257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).