pyridin-3-yl-(3,4,5-trimethylpyrazol-1-yl)methanone

C12H13N3O — CID 3238427

IUPACpyridin-3-yl-(3,4,5-trimethylpyrazol-1-yl)methanone
SMILESCc1nn(C(=O)c2cccnc2)c(C)c1C
InChIInChI=1S/C12H13N3O/c1-8-9(2)14-15(10(8)3)12(16)11-5-4-6-13-7-11/h4-7H,1-3H3
InChIKeyOEYQWHLWLLHMMA-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.89
Rot. Bonds1

About pyridin-3-yl-(3,4,5-trimethylpyrazol-1-yl)methanone

pyridin-3-yl-(3,4,5-trimethylpyrazol-1-yl)methanone (PubChem CID 3238427) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is pyridin-3-yl-(3,4,5-trimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Namepyridin-3-yl-(3,4,5-trimethylpyrazol-1-yl)methanone
PubChem CID3238427
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Namepyridin-3-yl-(3,4,5-trimethylpyrazol-1-yl)methanone
SMILESCc1nn(C(=O)c2cccnc2)c(C)c1C
InChIInChI=1S/C12H13N3O/c1-8-9(2)14-15(10(8)3)12(16)11-5-4-6-13-7-11/h4-7H,1-3H3
InChIKeyOEYQWHLWLLHMMA-UHFFFAOYSA-N
XLogP1.89
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-(3,4,5-trimethylpyrazol-1-yl)methanone?
The IUPAC name of pyridin-3-yl-(3,4,5-trimethylpyrazol-1-yl)methanone (CID 3238427) is pyridin-3-yl-(3,4,5-trimethylpyrazol-1-yl)methanone.
What is the SMILES notation for pyridin-3-yl-(3,4,5-trimethylpyrazol-1-yl)methanone?
The canonical SMILES for pyridin-3-yl-(3,4,5-trimethylpyrazol-1-yl)methanone is Cc1nn(C(=O)c2cccnc2)c(C)c1C.
What is the InChIKey of pyridin-3-yl-(3,4,5-trimethylpyrazol-1-yl)methanone?
The InChIKey is OEYQWHLWLLHMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-9(2)14-15(10(8)3)12(16)11-5-4-6-13-7-11/h4-7H,1-3H3.
What are the key properties of pyridin-3-yl-(3,4,5-trimethylpyrazol-1-yl)methanone?
pyridin-3-yl-(3,4,5-trimethylpyrazol-1-yl)methanone has a molecular weight of 215.26 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-(3,4,5-trimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 3238427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).