2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine

C18H22N4O3S — CID 52915982

IUPAC2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine
SMILESCc1cc(C)n2nc(OCCN(C)C)c(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C18H22N4O3S/c1-13-12-14(2)22-17(19-13)16(18(20-22)25-11-10-21(3)4)26(23,24)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3
InChIKeyVAZCJBLVIYLHOP-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.12
Rot. Bonds6

About 2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine

2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine (PubChem CID 52915982) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine
PubChem CID52915982
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine
SMILESCc1cc(C)n2nc(OCCN(C)C)c(S(=O)(=O)c3ccccc3)c2n1
InChIInChI=1S/C18H22N4O3S/c1-13-12-14(2)22-17(19-13)16(18(20-22)25-11-10-21(3)4)26(23,24)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3
InChIKeyVAZCJBLVIYLHOP-UHFFFAOYSA-N
XLogP2.12
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine (CID 52915982) is 2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine is Cc1cc(C)n2nc(OCCN(C)C)c(S(=O)(=O)c3ccccc3)c2n1.
What is the InChIKey of 2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine?
The InChIKey is VAZCJBLVIYLHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-13-12-14(2)22-17(19-13)16(18(20-22)25-11-10-21(3)4)26(23,24)15-8-6-5-7-9-15/h5-9,12H,10-11H2,1-4H3.
What are the key properties of 2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine?
2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine has a molecular weight of 374.47 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 52915982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).