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

C16H17FN4O2S — CID 1474451

IUPAC6-tert-butylsulfonyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)S(=O)(=O)c1cnc2c(-c3ccc(F)cc3)cnn2c1N
InChIInChI=1S/C16H17FN4O2S/c1-16(2,3)24(22,23)13-9-19-15-12(8-20-21(15)14(13)18)10-4-6-11(17)7-5-10/h4-9H,18H2,1-3H3
InChIKeySDQSWRKPOUZBJE-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.69
Rot. Bonds2

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

6-tert-butylsulfonyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1474451) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is 6-tert-butylsulfonyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-tert-butylsulfonyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID1474451
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC Name6-tert-butylsulfonyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)S(=O)(=O)c1cnc2c(-c3ccc(F)cc3)cnn2c1N
InChIInChI=1S/C16H17FN4O2S/c1-16(2,3)24(22,23)13-9-19-15-12(8-20-21(15)14(13)18)10-4-6-11(17)7-5-10/h4-9H,18H2,1-3H3
InChIKeySDQSWRKPOUZBJE-UHFFFAOYSA-N
XLogP2.69
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfonyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-tert-butylsulfonyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 1474451) is 6-tert-butylsulfonyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-tert-butylsulfonyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-tert-butylsulfonyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)(C)S(=O)(=O)c1cnc2c(-c3ccc(F)cc3)cnn2c1N.
What is the InChIKey of 6-tert-butylsulfonyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SDQSWRKPOUZBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c1-16(2,3)24(22,23)13-9-19-15-12(8-20-21(15)14(13)18)10-4-6-11(17)7-5-10/h4-9H,18H2,1-3H3.
What are the key properties of 6-tert-butylsulfonyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-tert-butylsulfonyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 348.40 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfonyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1474451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).