2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione

C12H10N4O2 — CID 63303367

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1n[nH]c(C)c1N1C(=O)c2ccncc2C1=O
InChIInChI=1S/C12H10N4O2/c1-6-10(7(2)15-14-6)16-11(17)8-3-4-13-5-9(8)12(16)18/h3-5H,1-2H3,(H,14,15)
InChIKeyCXSMQYGRYZIYFM-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.22
Rot. Bonds1

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione

2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 63303367) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID63303367
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1n[nH]c(C)c1N1C(=O)c2ccncc2C1=O
InChIInChI=1S/C12H10N4O2/c1-6-10(7(2)15-14-6)16-11(17)8-3-4-13-5-9(8)12(16)18/h3-5H,1-2H3,(H,14,15)
InChIKeyCXSMQYGRYZIYFM-UHFFFAOYSA-N
XLogP1.22
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 63303367) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione is Cc1n[nH]c(C)c1N1C(=O)c2ccncc2C1=O.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is CXSMQYGRYZIYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-6-10(7(2)15-14-6)16-11(17)8-3-4-13-5-9(8)12(16)18/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 242.24 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 63303367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).