1,4-dihydropyrrolo[3,4-d]pyrazole

C5H5N3 — CID 118472094

IUPAC1,4-dihydropyrrolo[3,4-d]pyrazole
SMILESC1=NCc2cn[nH]c21
InChIInChI=1S/C5H5N3/c1-4-2-7-8-5(4)3-6-1/h2-3H,1H2,(H,7,8)
InChIKeyCVYCRPOSSDMFHH-UHFFFAOYSA-N
MW107.12 g/mol
LogP0.34
Rot. Bonds

About 1,4-dihydropyrrolo[3,4-d]pyrazole

1,4-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 118472094) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is 1,4-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name1,4-dihydropyrrolo[3,4-d]pyrazole
PubChem CID118472094
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Name1,4-dihydropyrrolo[3,4-d]pyrazole
SMILESC1=NCc2cn[nH]c21
InChIInChI=1S/C5H5N3/c1-4-2-7-8-5(4)3-6-1/h2-3H,1H2,(H,7,8)
InChIKeyCVYCRPOSSDMFHH-UHFFFAOYSA-N
XLogP0.34
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 1,4-dihydropyrrolo[3,4-d]pyrazole (CID 118472094) is 1,4-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 1,4-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 1,4-dihydropyrrolo[3,4-d]pyrazole is C1=NCc2cn[nH]c21.
What is the InChIKey of 1,4-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is CVYCRPOSSDMFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3/c1-4-2-7-8-5(4)3-6-1/h2-3H,1H2,(H,7,8).
What are the key properties of 1,4-dihydropyrrolo[3,4-d]pyrazole?
1,4-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 107.12 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 118472094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).