5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one

C12H12N4O — CID 167438723

IUPAC5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
SMILESCc1nn(C)cc1-c1cc2c(cn1)NC(=O)C2
InChIInChI=1S/C12H12N4O/c1-7-9(6-16(2)15-7)10-3-8-4-12(17)14-11(8)5-13-10/h3,5-6H,4H2,1-2H3,(H,14,17)
InChIKeyQNEZQHQNLWCLKG-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.29
Rot. Bonds1

About 5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one

5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one (PubChem CID 167438723) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
PubChem CID167438723
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one
SMILESCc1nn(C)cc1-c1cc2c(cn1)NC(=O)C2
InChIInChI=1S/C12H12N4O/c1-7-9(6-16(2)15-7)10-3-8-4-12(17)14-11(8)5-13-10/h3,5-6H,4H2,1-2H3,(H,14,17)
InChIKeyQNEZQHQNLWCLKG-UHFFFAOYSA-N
XLogP1.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one (CID 167438723) is 5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one is Cc1nn(C)cc1-c1cc2c(cn1)NC(=O)C2.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one?
The InChIKey is QNEZQHQNLWCLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-7-9(6-16(2)15-7)10-3-8-4-12(17)14-11(8)5-13-10/h3,5-6H,4H2,1-2H3,(H,14,17).
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one?
5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one has a molecular weight of 228.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrazol-4-yl)-1,3-dihydropyrrolo[2,3-c]pyridin-2-one is sourced from PubChem (CID 167438723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).