2-(3H-imidazo[4,5-c]pyridin-2-yl)-4,5-dimethyl-1H-pyrazol-3-one

C11H11N5O — CID 167659833

IUPAC2-(3H-imidazo[4,5-c]pyridin-2-yl)-4,5-dimethyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2nc3ccncc3[nH]2)c(=O)c1C
InChIInChI=1S/C11H11N5O/c1-6-7(2)15-16(10(6)17)11-13-8-3-4-12-5-9(8)14-11/h3-5,15H,1-2H3,(H,13,14)
InChIKeyZETYHBAHHLXGJL-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.05
Rot. Bonds1

About 2-(3H-imidazo[4,5-c]pyridin-2-yl)-4,5-dimethyl-1H-pyrazol-3-one

2-(3H-imidazo[4,5-c]pyridin-2-yl)-4,5-dimethyl-1H-pyrazol-3-one (PubChem CID 167659833) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(3H-imidazo[4,5-c]pyridin-2-yl)-4,5-dimethyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3H-imidazo[4,5-c]pyridin-2-yl)-4,5-dimethyl-1H-pyrazol-3-one
PubChem CID167659833
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name2-(3H-imidazo[4,5-c]pyridin-2-yl)-4,5-dimethyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2nc3ccncc3[nH]2)c(=O)c1C
InChIInChI=1S/C11H11N5O/c1-6-7(2)15-16(10(6)17)11-13-8-3-4-12-5-9(8)14-11/h3-5,15H,1-2H3,(H,13,14)
InChIKeyZETYHBAHHLXGJL-UHFFFAOYSA-N
XLogP1.05
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3H-imidazo[4,5-c]pyridin-2-yl)-4,5-dimethyl-1H-pyrazol-3-one?
The IUPAC name of 2-(3H-imidazo[4,5-c]pyridin-2-yl)-4,5-dimethyl-1H-pyrazol-3-one (CID 167659833) is 2-(3H-imidazo[4,5-c]pyridin-2-yl)-4,5-dimethyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3H-imidazo[4,5-c]pyridin-2-yl)-4,5-dimethyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(3H-imidazo[4,5-c]pyridin-2-yl)-4,5-dimethyl-1H-pyrazol-3-one is Cc1[nH]n(-c2nc3ccncc3[nH]2)c(=O)c1C.
What is the InChIKey of 2-(3H-imidazo[4,5-c]pyridin-2-yl)-4,5-dimethyl-1H-pyrazol-3-one?
The InChIKey is ZETYHBAHHLXGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-6-7(2)15-16(10(6)17)11-13-8-3-4-12-5-9(8)14-11/h3-5,15H,1-2H3,(H,13,14).
What are the key properties of 2-(3H-imidazo[4,5-c]pyridin-2-yl)-4,5-dimethyl-1H-pyrazol-3-one?
2-(3H-imidazo[4,5-c]pyridin-2-yl)-4,5-dimethyl-1H-pyrazol-3-one has a molecular weight of 229.24 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-imidazo[4,5-c]pyridin-2-yl)-4,5-dimethyl-1H-pyrazol-3-one is sourced from PubChem (CID 167659833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).