(3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone

C11H11N3O — CID 645025

IUPAC(3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone
SMILESCc1cc(C)n(C(=O)c2ccncc2)n1
InChIInChI=1S/C11H11N3O/c1-8-7-9(2)14(13-8)11(15)10-3-5-12-6-4-10/h3-7H,1-2H3
InChIKeyVXESXFNPRURVHH-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.58
Rot. Bonds1

About (3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone

(3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone (PubChem CID 645025) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone
PubChem CID645025
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone
SMILESCc1cc(C)n(C(=O)c2ccncc2)n1
InChIInChI=1S/C11H11N3O/c1-8-7-9(2)14(13-8)11(15)10-3-5-12-6-4-10/h3-7H,1-2H3
InChIKeyVXESXFNPRURVHH-UHFFFAOYSA-N
XLogP1.58
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone (CID 645025) is (3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone is Cc1cc(C)n(C(=O)c2ccncc2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone?
The InChIKey is VXESXFNPRURVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-7-9(2)14(13-8)11(15)10-3-5-12-6-4-10/h3-7H,1-2H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone?
(3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone has a molecular weight of 201.23 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 645025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).