4-(cyclopent-3-en-1-ylmethoxy)pyrazolo[1,5-a]pyrazine

C12H13N3O — CID 126954464

IUPAC4-(cyclopent-3-en-1-ylmethoxy)pyrazolo[1,5-a]pyrazine
SMILESC1=CCC(COc2nccn3nccc23)C1
InChIInChI=1S/C12H13N3O/c1-2-4-10(3-1)9-16-12-11-5-6-14-15(11)8-7-13-12/h1-2,5-8,10H,3-4,9H2
InChIKeyMTMDPVKHGKBUHL-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.07
Rot. Bonds3

About 4-(cyclopent-3-en-1-ylmethoxy)pyrazolo[1,5-a]pyrazine

4-(cyclopent-3-en-1-ylmethoxy)pyrazolo[1,5-a]pyrazine (PubChem CID 126954464) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-(cyclopent-3-en-1-ylmethoxy)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(cyclopent-3-en-1-ylmethoxy)pyrazolo[1,5-a]pyrazine
PubChem CID126954464
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-(cyclopent-3-en-1-ylmethoxy)pyrazolo[1,5-a]pyrazine
SMILESC1=CCC(COc2nccn3nccc23)C1
InChIInChI=1S/C12H13N3O/c1-2-4-10(3-1)9-16-12-11-5-6-14-15(11)8-7-13-12/h1-2,5-8,10H,3-4,9H2
InChIKeyMTMDPVKHGKBUHL-UHFFFAOYSA-N
XLogP2.07
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopent-3-en-1-ylmethoxy)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(cyclopent-3-en-1-ylmethoxy)pyrazolo[1,5-a]pyrazine (CID 126954464) is 4-(cyclopent-3-en-1-ylmethoxy)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(cyclopent-3-en-1-ylmethoxy)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(cyclopent-3-en-1-ylmethoxy)pyrazolo[1,5-a]pyrazine is C1=CCC(COc2nccn3nccc23)C1.
What is the InChIKey of 4-(cyclopent-3-en-1-ylmethoxy)pyrazolo[1,5-a]pyrazine?
The InChIKey is MTMDPVKHGKBUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-4-10(3-1)9-16-12-11-5-6-14-15(11)8-7-13-12/h1-2,5-8,10H,3-4,9H2.
What are the key properties of 4-(cyclopent-3-en-1-ylmethoxy)pyrazolo[1,5-a]pyrazine?
4-(cyclopent-3-en-1-ylmethoxy)pyrazolo[1,5-a]pyrazine has a molecular weight of 215.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopent-3-en-1-ylmethoxy)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 126954464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).