2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C7H9ClN2 — CID 122163208

IUPAC2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESClCc1cc2n(n1)CCC2
InChIInChI=1S/C7H9ClN2/c8-5-6-4-7-2-1-3-10(7)9-6/h4H,1-3,5H2
InChIKeyIMLYUHBBZVTTNG-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.57
Rot. Bonds1

About 2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 122163208) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID122163208
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESClCc1cc2n(n1)CCC2
InChIInChI=1S/C7H9ClN2/c8-5-6-4-7-2-1-3-10(7)9-6/h4H,1-3,5H2
InChIKeyIMLYUHBBZVTTNG-UHFFFAOYSA-N
XLogP1.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of 2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 122163208) is 2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for 2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is ClCc1cc2n(n1)CCC2.
What is the InChIKey of 2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is IMLYUHBBZVTTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c8-5-6-4-7-2-1-3-10(7)9-6/h4H,1-3,5H2.
What are the key properties of 2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 156.62 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 122163208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).