6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C17H20N4O3S — CID 1481763

IUPAC6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnn3c(N)c(S(=O)(=O)C(C)(C)C)cnc23)cc1
InChIInChI=1S/C17H20N4O3S/c1-17(2,3)25(22,23)14-10-19-16-13(9-20-21(16)15(14)18)11-5-7-12(24-4)8-6-11/h5-10H,18H2,1-4H3
InChIKeyJTXAZYQEVPWTEC-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.56
Rot. Bonds3

About 6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1481763) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1481763
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnn3c(N)c(S(=O)(=O)C(C)(C)C)cnc23)cc1
InChIInChI=1S/C17H20N4O3S/c1-17(2,3)25(22,23)14-10-19-16-13(9-20-21(16)15(14)18)11-5-7-12(24-4)8-6-11/h5-10H,18H2,1-4H3
InChIKeyJTXAZYQEVPWTEC-UHFFFAOYSA-N
XLogP2.56
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 1481763) is 6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cnn3c(N)c(S(=O)(=O)C(C)(C)C)cnc23)cc1.
What is the InChIKey of 6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JTXAZYQEVPWTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-17(2,3)25(22,23)14-10-19-16-13(9-20-21(16)15(14)18)11-5-7-12(24-4)8-6-11/h5-10H,18H2,1-4H3.
What are the key properties of 6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 360.44 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1481763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).