3-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

C7H11N3 — CID 83845377

IUPAC3-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESCCc1n[nH]c2c1CNC2
InChIInChI=1S/C7H11N3/c1-2-6-5-3-8-4-7(5)10-9-6/h8H,2-4H2,1H3,(H,9,10)
InChIKeyNCORMRKXYWWJRU-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.58
Rot. Bonds1

About 3-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

3-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (PubChem CID 83845377) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name3-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
PubChem CID83845377
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESCCc1n[nH]c2c1CNC2
InChIInChI=1S/C7H11N3/c1-2-6-5-3-8-4-7(5)10-9-6/h8H,2-4H2,1H3,(H,9,10)
InChIKeyNCORMRKXYWWJRU-UHFFFAOYSA-N
XLogP0.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 3-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (CID 83845377) is 3-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 3-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 3-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is CCc1n[nH]c2c1CNC2.
What is the InChIKey of 3-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The InChIKey is NCORMRKXYWWJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-6-5-3-8-4-7(5)10-9-6/h8H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
3-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole has a molecular weight of 137.19 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 83845377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).