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

C6H7ClN2 — CID 122129707

IUPAC3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESClc1cnn2c1CCC2
InChIInChI=1S/C6H7ClN2/c7-5-4-8-9-3-1-2-6(5)9/h4H,1-3H2
InChIKeyVIFVRPOTQWWBLM-UHFFFAOYSA-N
MW142.59 g/mol
LogP1.48
Rot. Bonds

About 3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 122129707) has the molecular formula C6H7ClN2 and a molecular weight of 142.59 g/mol. Its IUPAC name is 3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID122129707
Molecular FormulaC6H7ClN2
Molecular Weight142.59 g/mol
Exact Mass142.03
IUPAC Name3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESClc1cnn2c1CCC2
InChIInChI=1S/C6H7ClN2/c7-5-4-8-9-3-1-2-6(5)9/h4H,1-3H2
InChIKeyVIFVRPOTQWWBLM-UHFFFAOYSA-N
XLogP1.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.59
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of 3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 122129707) is 3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for 3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is Clc1cnn2c1CCC2.
What is the InChIKey of 3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is VIFVRPOTQWWBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2/c7-5-4-8-9-3-1-2-6(5)9/h4H,1-3H2.
What are the key properties of 3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 142.59 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 122129707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).