5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde

C7H8N2O — CID 11286491

IUPAC5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde
SMILESO=Cc1cc2n(n1)CCC2
InChIInChI=1S/C7H8N2O/c10-5-6-4-7-2-1-3-9(7)8-6/h4-5H,1-3H2
InChIKeyRTZLJDDSFCFBML-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.64
Rot. Bonds1

About 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde

5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde (PubChem CID 11286491) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde.

Molecular Properties

Compound Name5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde
PubChem CID11286491
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde
SMILESO=Cc1cc2n(n1)CCC2
InChIInChI=1S/C7H8N2O/c10-5-6-4-7-2-1-3-9(7)8-6/h4-5H,1-3H2
InChIKeyRTZLJDDSFCFBML-UHFFFAOYSA-N
XLogP0.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5-dimethyl-1H-pyrazole-3-carbaldehyde
CID 7017101
1,3-dimethyl-1H-pyrazole-5-carbaldehyde
CID 2776362
4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde
CID 11845421
3-cyclopropyl-1-methyl-1H-pyrazole-5-carbaldehyde
CID 50896484
1-ethyl-3-methyl-1H-pyrazole-5-carbaldehyde
CID 57440999
3-ethyl-1-methyl-1H-pyrazole-5-carbaldehyde
CID 57441001
1-methyl-3-(propan-2-yl)-1H-pyrazole-5-carbaldehyde
CID 57441002
5-cyclopropyl-1-methyl-1H-pyrazole-3-carbaldehyde
CID 83815323
3-methyl-1-propyl-1H-pyrazole-5-carbaldehyde
CID 102538374
1-Cyclopentyl-3-methyl-1H-pyrazole-5-carbaldehyde
CID 50896489
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-3-carbaldehyde
CID 22493551
1-Hexyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde
CID 139674895

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde?
The IUPAC name of 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde (CID 11286491) is 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde.
What is the SMILES notation for 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde?
The canonical SMILES for 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde is O=Cc1cc2n(n1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde?
The InChIKey is RTZLJDDSFCFBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-5-6-4-7-2-1-3-9(7)8-6/h4-5H,1-3H2.
What are the key properties of 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde?
5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde has a molecular weight of 136.15 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-2-carbaldehyde is sourced from PubChem (CID 11286491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).