3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C19H22N6 — CID 153316955

IUPAC3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCNc1cc(C)nc2c(-c3ccc4c(c3)c(C)nn4C)c(C)nn12
InChIInChI=1S/C19H22N6/c1-6-20-17-9-11(2)21-19-18(13(4)23-25(17)19)14-7-8-16-15(10-14)12(3)22-24(16)5/h7-10,20H,6H2,1-5H3
InChIKeyTYOLSZWSUUYKFL-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.64
Rot. Bonds3

About 3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 153316955) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID153316955
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCNc1cc(C)nc2c(-c3ccc4c(c3)c(C)nn4C)c(C)nn12
InChIInChI=1S/C19H22N6/c1-6-20-17-9-11(2)21-19-18(13(4)23-25(17)19)14-7-8-16-15(10-14)12(3)22-24(16)5/h7-10,20H,6H2,1-5H3
InChIKeyTYOLSZWSUUYKFL-UHFFFAOYSA-N
XLogP3.64
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 153316955) is 3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is CCNc1cc(C)nc2c(-c3ccc4c(c3)c(C)nn4C)c(C)nn12.
What is the InChIKey of 3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is TYOLSZWSUUYKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-6-20-17-9-11(2)21-19-18(13(4)23-25(17)19)14-7-8-16-15(10-14)12(3)22-24(16)5/h7-10,20H,6H2,1-5H3.
What are the key properties of 3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 334.43 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylindazol-5-yl)-N-ethyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 153316955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).