6,6-dimethylpyrazolo[1,5-a]azepine

C10H12N2 — CID 142116655

IUPAC6,6-dimethylpyrazolo[1,5-a]azepine
SMILESCC1(C)C=Cc2ccnn2C=C1
InChIInChI=1S/C10H12N2/c1-10(2)5-3-9-4-7-11-12(9)8-6-10/h3-8H,1-2H3
InChIKeyHRPICLARENHFQM-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.41
Rot. Bonds

About 6,6-dimethylpyrazolo[1,5-a]azepine

6,6-dimethylpyrazolo[1,5-a]azepine (PubChem CID 142116655) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 6,6-dimethylpyrazolo[1,5-a]azepine.

Molecular Properties

Compound Name6,6-dimethylpyrazolo[1,5-a]azepine
PubChem CID142116655
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name6,6-dimethylpyrazolo[1,5-a]azepine
SMILESCC1(C)C=Cc2ccnn2C=C1
InChIInChI=1S/C10H12N2/c1-10(2)5-3-9-4-7-11-12(9)8-6-10/h3-8H,1-2H3
InChIKeyHRPICLARENHFQM-UHFFFAOYSA-N
XLogP2.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylpyrazolo[1,5-a]azepine?
The IUPAC name of 6,6-dimethylpyrazolo[1,5-a]azepine (CID 142116655) is 6,6-dimethylpyrazolo[1,5-a]azepine.
What is the SMILES notation for 6,6-dimethylpyrazolo[1,5-a]azepine?
The canonical SMILES for 6,6-dimethylpyrazolo[1,5-a]azepine is CC1(C)C=Cc2ccnn2C=C1.
What is the InChIKey of 6,6-dimethylpyrazolo[1,5-a]azepine?
The InChIKey is HRPICLARENHFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-10(2)5-3-9-4-7-11-12(9)8-6-10/h3-8H,1-2H3.
What are the key properties of 6,6-dimethylpyrazolo[1,5-a]azepine?
6,6-dimethylpyrazolo[1,5-a]azepine has a molecular weight of 160.22 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylpyrazolo[1,5-a]azepine is sourced from PubChem (CID 142116655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).