(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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Related Compounds

Crotoniazide
CID 5369886
N'-[(1E)-pyridin-2-ylmethylene]isonicotinohydrazide
CID 5469565
N'-(propan-2-ylidene)isonicotinohydrazide
CID 72487
4-Pyridinecarboxylic acid, 2-cyclopentylidenehydrazide
CID 199574
(4,5-Dihydro-5-phenyl-1H-pyrazol-1-yl)-4-pyridinylmethanone
CID 3078469
3-Ethyl-4-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872295
N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide
CID 10598093
1-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-3-carbohydrazide
CID 5412145
Crotonaldehyde isonicotinic acid hydrazone
CID 5717190
3-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6871425
3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N'-(3-pyridinylmethylene)benzohydrazide
CID 6874623
Pyridine-4-carbohydrazide, N2-(1-phenylpyrrol-2-yl)methylene-
CID 9579993

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).