1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol

C9H14N2O — CID 83675637

IUPAC1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol
SMILESCC(O)Cc1cc2n(n1)CCC2
InChIInChI=1S/C9H14N2O/c1-7(12)5-8-6-9-3-2-4-11(9)10-8/h6-7,12H,2-5H2,1H3
InChIKeyRFEUUJBJOTUIQI-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.75
Rot. Bonds2

About 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol

1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol (PubChem CID 83675637) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol
PubChem CID83675637
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol
SMILESCC(O)Cc1cc2n(n1)CCC2
InChIInChI=1S/C9H14N2O/c1-7(12)5-8-6-9-3-2-4-11(9)10-8/h6-7,12H,2-5H2,1H3
InChIKeyRFEUUJBJOTUIQI-UHFFFAOYSA-N
XLogP0.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol?
The IUPAC name of 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol (CID 83675637) is 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol is CC(O)Cc1cc2n(n1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol?
The InChIKey is RFEUUJBJOTUIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(12)5-8-6-9-3-2-4-11(9)10-8/h6-7,12H,2-5H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol?
1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol has a molecular weight of 166.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol is sourced from PubChem (CID 83675637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).