5-ethyl-2,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C16H25N5O2S — CID 70718913

IUPAC5-ethyl-2,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC2CCN(S(C)(=O)=O)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H25N5O2S/c1-5-13-10-15(21-16(18-13)11(2)12(3)19-21)17-14-6-8-20(9-7-14)24(4,22)23/h10,14,17H,5-9H2,1-4H3
InChIKeyBTHZRLBPSFDXON-UHFFFAOYSA-N
MW351.48 g/mol
LogP1.74
Rot. Bonds4

About 5-ethyl-2,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-ethyl-2,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70718913) has the molecular formula C16H25N5O2S and a molecular weight of 351.48 g/mol. Its IUPAC name is 5-ethyl-2,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-2,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70718913
Molecular FormulaC16H25N5O2S
Molecular Weight351.48 g/mol
Exact Mass351.17
IUPAC Name5-ethyl-2,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(NC2CCN(S(C)(=O)=O)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H25N5O2S/c1-5-13-10-15(21-16(18-13)11(2)12(3)19-21)17-14-6-8-20(9-7-14)24(4,22)23/h10,14,17H,5-9H2,1-4H3
InChIKeyBTHZRLBPSFDXON-UHFFFAOYSA-N
XLogP1.74
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-2,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 70718913) is 5-ethyl-2,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-2,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-2,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(NC2CCN(S(C)(=O)=O)CC2)n2nc(C)c(C)c2n1.
What is the InChIKey of 5-ethyl-2,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BTHZRLBPSFDXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2S/c1-5-13-10-15(21-16(18-13)11(2)12(3)19-21)17-14-6-8-20(9-7-14)24(4,22)23/h10,14,17H,5-9H2,1-4H3.
What are the key properties of 5-ethyl-2,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-2,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 351.48 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70718913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).