3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C15H19N7 — CID 172585149

IUPAC3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCn1cc(-c2cn3ncc(N4CCCNCC4)c3cn2)cn1
InChIInChI=1S/C15H19N7/c1-20-10-12(7-18-20)13-11-22-15(8-17-13)14(9-19-22)21-5-2-3-16-4-6-21/h7-11,16H,2-6H2,1H3
InChIKeyHBGRULWRVMGRBD-UHFFFAOYSA-N
MW297.37 g/mol
LogP0.93
Rot. Bonds2

About 3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 172585149) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID172585149
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCn1cc(-c2cn3ncc(N4CCCNCC4)c3cn2)cn1
InChIInChI=1S/C15H19N7/c1-20-10-12(7-18-20)13-11-22-15(8-17-13)14(9-19-22)21-5-2-3-16-4-6-21/h7-11,16H,2-6H2,1H3
InChIKeyHBGRULWRVMGRBD-UHFFFAOYSA-N
XLogP0.93
TPSA63.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 172585149) is 3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is Cn1cc(-c2cn3ncc(N4CCCNCC4)c3cn2)cn1.
What is the InChIKey of 3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is HBGRULWRVMGRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c1-20-10-12(7-18-20)13-11-22-15(8-17-13)14(9-19-22)21-5-2-3-16-4-6-21/h7-11,16H,2-6H2,1H3.
What are the key properties of 3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 297.37 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-diazepan-1-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 172585149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).