2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C11H11N5O2 — CID 66495161

IUPAC2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(C)[nH]c2cc(=O)n1-c1ccn[nH]1
InChIInChI=1S/C11H11N5O2/c1-6-10-7(14-15(2)11(10)18)5-9(17)16(6)8-3-4-12-13-8/h3-5,14H,1-2H3,(H,12,13)
InChIKeyWEXOQRGXSPLBIB-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.05
Rot. Bonds1

About 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione

2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 66495161) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID66495161
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCc1c2c(=O)n(C)[nH]c2cc(=O)n1-c1ccn[nH]1
InChIInChI=1S/C11H11N5O2/c1-6-10-7(14-15(2)11(10)18)5-9(17)16(6)8-3-4-12-13-8/h3-5,14H,1-2H3,(H,12,13)
InChIKeyWEXOQRGXSPLBIB-UHFFFAOYSA-N
XLogP0.05
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 66495161) is 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is Cc1c2c(=O)n(C)[nH]c2cc(=O)n1-c1ccn[nH]1.
What is the InChIKey of 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is WEXOQRGXSPLBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-6-10-7(14-15(2)11(10)18)5-9(17)16(6)8-3-4-12-13-8/h3-5,14H,1-2H3,(H,12,13).
What are the key properties of 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 245.24 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(1H-pyrazol-5-yl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 66495161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).