2-methyl-4-phenylpyrazolo[1,5-a]pyrazine

C13H11N3 — CID 139599886

IUPAC2-methyl-4-phenylpyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(-c3ccccc3)nccn2n1
InChIInChI=1S/C13H11N3/c1-10-9-12-13(11-5-3-2-4-6-11)14-7-8-16(12)15-10/h2-9H,1H3
InChIKeyXWMGZROTKDAVFF-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.70
Rot. Bonds1

About 2-methyl-4-phenylpyrazolo[1,5-a]pyrazine

2-methyl-4-phenylpyrazolo[1,5-a]pyrazine (PubChem CID 139599886) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-4-phenylpyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-methyl-4-phenylpyrazolo[1,5-a]pyrazine
PubChem CID139599886
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-methyl-4-phenylpyrazolo[1,5-a]pyrazine
SMILESCc1cc2c(-c3ccccc3)nccn2n1
InChIInChI=1S/C13H11N3/c1-10-9-12-13(11-5-3-2-4-6-11)14-7-8-16(12)15-10/h2-9H,1H3
InChIKeyXWMGZROTKDAVFF-UHFFFAOYSA-N
XLogP2.70
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylpyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-methyl-4-phenylpyrazolo[1,5-a]pyrazine (CID 139599886) is 2-methyl-4-phenylpyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-methyl-4-phenylpyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-methyl-4-phenylpyrazolo[1,5-a]pyrazine is Cc1cc2c(-c3ccccc3)nccn2n1.
What is the InChIKey of 2-methyl-4-phenylpyrazolo[1,5-a]pyrazine?
The InChIKey is XWMGZROTKDAVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-10-9-12-13(11-5-3-2-4-6-11)14-7-8-16(12)15-10/h2-9H,1H3.
What are the key properties of 2-methyl-4-phenylpyrazolo[1,5-a]pyrazine?
2-methyl-4-phenylpyrazolo[1,5-a]pyrazine has a molecular weight of 209.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylpyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 139599886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).