1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde

C9H9N3O2 — CID 154681840

IUPAC1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde
SMILESCn1ncc2c1c(C=O)c(C=O)n2C
InChIInChI=1S/C9H9N3O2/c1-11-7-3-10-12(2)9(7)6(4-13)8(11)5-14/h3-5H,1-2H3
InChIKeyBQDHDZLNZSOVGF-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.54
Rot. Bonds2

About 1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde

1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde (PubChem CID 154681840) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde.

Molecular Properties

Compound Name1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde
PubChem CID154681840
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde
SMILESCn1ncc2c1c(C=O)c(C=O)n2C
InChIInChI=1S/C9H9N3O2/c1-11-7-3-10-12(2)9(7)6(4-13)8(11)5-14/h3-5H,1-2H3
InChIKeyBQDHDZLNZSOVGF-UHFFFAOYSA-N
XLogP0.54
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde?
The IUPAC name of 1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde (CID 154681840) is 1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde.
What is the SMILES notation for 1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde?
The canonical SMILES for 1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde is Cn1ncc2c1c(C=O)c(C=O)n2C.
What is the InChIKey of 1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde?
The InChIKey is BQDHDZLNZSOVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-11-7-3-10-12(2)9(7)6(4-13)8(11)5-14/h3-5H,1-2H3.
What are the key properties of 1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde?
1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde has a molecular weight of 191.19 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde is sourced from PubChem (CID 154681840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).