2,3,5,5a-tetrahydro-1H-pyrazolo[5,1-a]isoindole

C10H12N2 — CID 70467966

IUPAC2,3,5,5a-tetrahydro-1H-pyrazolo[5,1-a]isoindole
SMILESC1=CC2=C3CCNN3CC2C=C1
InChIInChI=1S/C10H12N2/c1-2-4-9-8(3-1)7-12-10(9)5-6-11-12/h1-4,8,11H,5-7H2
InChIKeyPMFUTAUDKZKPRM-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.21
Rot. Bonds

About 2,3,5,5a-tetrahydro-1H-pyrazolo[5,1-a]isoindole

2,3,5,5a-tetrahydro-1H-pyrazolo[5,1-a]isoindole (PubChem CID 70467966) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2,3,5,5a-tetrahydro-1H-pyrazolo[5,1-a]isoindole.

Molecular Properties

Compound Name2,3,5,5a-tetrahydro-1H-pyrazolo[5,1-a]isoindole
PubChem CID70467966
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2,3,5,5a-tetrahydro-1H-pyrazolo[5,1-a]isoindole
SMILESC1=CC2=C3CCNN3CC2C=C1
InChIInChI=1S/C10H12N2/c1-2-4-9-8(3-1)7-12-10(9)5-6-11-12/h1-4,8,11H,5-7H2
InChIKeyPMFUTAUDKZKPRM-UHFFFAOYSA-N
XLogP1.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,5a-tetrahydro-1H-pyrazolo[5,1-a]isoindole?
The IUPAC name of 2,3,5,5a-tetrahydro-1H-pyrazolo[5,1-a]isoindole (CID 70467966) is 2,3,5,5a-tetrahydro-1H-pyrazolo[5,1-a]isoindole.
What is the SMILES notation for 2,3,5,5a-tetrahydro-1H-pyrazolo[5,1-a]isoindole?
The canonical SMILES for 2,3,5,5a-tetrahydro-1H-pyrazolo[5,1-a]isoindole is C1=CC2=C3CCNN3CC2C=C1.
What is the InChIKey of 2,3,5,5a-tetrahydro-1H-pyrazolo[5,1-a]isoindole?
The InChIKey is PMFUTAUDKZKPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-4-9-8(3-1)7-12-10(9)5-6-11-12/h1-4,8,11H,5-7H2.
What are the key properties of 2,3,5,5a-tetrahydro-1H-pyrazolo[5,1-a]isoindole?
2,3,5,5a-tetrahydro-1H-pyrazolo[5,1-a]isoindole has a molecular weight of 160.22 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,5a-tetrahydro-1H-pyrazolo[5,1-a]isoindole is sourced from PubChem (CID 70467966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).