3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C19H24N6O2S — CID 130452037

IUPAC3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCNCCN(C)C(=O)c1cc(C)n2nc(NC)c(S(=O)c3ccccc3)c2n1
InChIInChI=1S/C19H24N6O2S/c1-13-12-15(19(26)24(4)11-10-20-2)22-18-16(17(21-3)23-25(13)18)28(27)14-8-6-5-7-9-14/h5-9,12,20H,10-11H2,1-4H3,(H,21,23)
InChIKeyKCMGPNHOGUILQH-UHFFFAOYSA-N
MW400.51 g/mol
LogP1.54
Rot. Bonds7

About 3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 130452037) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is 3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID130452037
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Name3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCNCCN(C)C(=O)c1cc(C)n2nc(NC)c(S(=O)c3ccccc3)c2n1
InChIInChI=1S/C19H24N6O2S/c1-13-12-15(19(26)24(4)11-10-20-2)22-18-16(17(21-3)23-25(13)18)28(27)14-8-6-5-7-9-14/h5-9,12,20H,10-11H2,1-4H3,(H,21,23)
InChIKeyKCMGPNHOGUILQH-UHFFFAOYSA-N
XLogP1.54
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 130452037) is 3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is CNCCN(C)C(=O)c1cc(C)n2nc(NC)c(S(=O)c3ccccc3)c2n1.
What is the InChIKey of 3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is KCMGPNHOGUILQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-13-12-15(19(26)24(4)11-10-20-2)22-18-16(17(21-3)23-25(13)18)28(27)14-8-6-5-7-9-14/h5-9,12,20H,10-11H2,1-4H3,(H,21,23).
What are the key properties of 3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 400.51 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfinyl)-N,7-dimethyl-2-(methylamino)-N-[2-(methylamino)ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 130452037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).