1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride

C7H12ClN3 — CID 176811769

IUPAC1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride
SMILESCCn1ncc2c1CNC2.Cl
InChIInChI=1S/C7H11N3.ClH/c1-2-10-7-5-8-3-6(7)4-9-10;/h4,8H,2-3,5H2,1H3;1H
InChIKeyDXFPJEKOPDLYRO-UHFFFAOYSA-N
MW173.65 g/mol
LogP0.93
Rot. Bonds1

About 1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride

1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride (PubChem CID 176811769) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride.

Molecular Properties

Compound Name1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride
PubChem CID176811769
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride
SMILESCCn1ncc2c1CNC2.Cl
InChIInChI=1S/C7H11N3.ClH/c1-2-10-7-5-8-3-6(7)4-9-10;/h4,8H,2-3,5H2,1H3;1H
InChIKeyDXFPJEKOPDLYRO-UHFFFAOYSA-N
XLogP0.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride?
The IUPAC name of 1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride (CID 176811769) is 1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride.
What is the SMILES notation for 1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride?
The canonical SMILES for 1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride is CCn1ncc2c1CNC2.Cl.
What is the InChIKey of 1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride?
The InChIKey is DXFPJEKOPDLYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.ClH/c1-2-10-7-5-8-3-6(7)4-9-10;/h4,8H,2-3,5H2,1H3;1H.
What are the key properties of 1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride?
1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride has a molecular weight of 173.65 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;hydrochloride is sourced from PubChem (CID 176811769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).