(2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

C13H17N5O — CID 103120855

IUPAC(2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESCC1(C)CNCCN1C(=O)c1cnn2ccncc12
InChIInChI=1S/C13H17N5O/c1-13(2)9-15-3-5-17(13)12(19)10-7-16-18-6-4-14-8-11(10)18/h4,6-8,15H,3,5,9H2,1-2H3
InChIKeyIWZFWVBDKZDDBB-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.55
Rot. Bonds1

About (2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

(2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone (PubChem CID 103120855) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone.

Molecular Properties

Compound Name(2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
PubChem CID103120855
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESCC1(C)CNCCN1C(=O)c1cnn2ccncc12
InChIInChI=1S/C13H17N5O/c1-13(2)9-15-3-5-17(13)12(19)10-7-16-18-6-4-14-8-11(10)18/h4,6-8,15H,3,5,9H2,1-2H3
InChIKeyIWZFWVBDKZDDBB-UHFFFAOYSA-N
XLogP0.55
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The IUPAC name of (2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone (CID 103120855) is (2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone.
What is the SMILES notation for (2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The canonical SMILES for (2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone is CC1(C)CNCCN1C(=O)c1cnn2ccncc12.
What is the InChIKey of (2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The InChIKey is IWZFWVBDKZDDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-13(2)9-15-3-5-17(13)12(19)10-7-16-18-6-4-14-8-11(10)18/h4,6-8,15H,3,5,9H2,1-2H3.
What are the key properties of (2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
(2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone has a molecular weight of 259.31 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone is sourced from PubChem (CID 103120855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).