(3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone

C15H13N3O — CID 162671475

IUPAC(3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone
SMILESCc1cccc(C(=O)n2nc(C)c3cnccc32)c1
InChIInChI=1S/C15H13N3O/c1-10-4-3-5-12(8-10)15(19)18-14-6-7-16-9-13(14)11(2)17-18/h3-9H,1-2H3
InChIKeyUWKURZLYPWLBFN-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.74
Rot. Bonds1

About (3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone

(3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone (PubChem CID 162671475) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone
PubChem CID162671475
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone
SMILESCc1cccc(C(=O)n2nc(C)c3cnccc32)c1
InChIInChI=1S/C15H13N3O/c1-10-4-3-5-12(8-10)15(19)18-14-6-7-16-9-13(14)11(2)17-18/h3-9H,1-2H3
InChIKeyUWKURZLYPWLBFN-UHFFFAOYSA-N
XLogP2.74
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone?
The IUPAC name of (3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone (CID 162671475) is (3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone.
What is the SMILES notation for (3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone?
The canonical SMILES for (3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone is Cc1cccc(C(=O)n2nc(C)c3cnccc32)c1.
What is the InChIKey of (3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone?
The InChIKey is UWKURZLYPWLBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-4-3-5-12(8-10)15(19)18-14-6-7-16-9-13(14)11(2)17-18/h3-9H,1-2H3.
What are the key properties of (3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone?
(3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone has a molecular weight of 251.29 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone is sourced from PubChem (CID 162671475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).