1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one

C13H15N3O — CID 112583735

IUPAC1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(-n2nc(C)cc2C)cn1
InChIInChI=1S/C13H15N3O/c1-4-13(17)12-6-5-11(8-14-12)16-10(3)7-9(2)15-16/h5-8H,4H2,1-3H3
InChIKeyACLSMMGWYKOFGH-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.48
Rot. Bonds3

About 1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one

1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one (PubChem CID 112583735) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one
PubChem CID112583735
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(-n2nc(C)cc2C)cn1
InChIInChI=1S/C13H15N3O/c1-4-13(17)12-6-5-11(8-14-12)16-10(3)7-9(2)15-16/h5-8H,4H2,1-3H3
InChIKeyACLSMMGWYKOFGH-UHFFFAOYSA-N
XLogP2.48
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboximidamide
CID 115489724
2-amino-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 83823762
5-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonitrile
CID 115487799
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112452
1-[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-one
CID 112583755
ethyl 2-chloro-5-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50884704
(3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 95785321
4-(3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 16640533
1-[5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-pyridinyl]propan-1-one
CID 115938932
4-(3,5-dimethylpyrazol-1-yl)-N-hydroxybenzeneamine oxide
CID 163118514
[4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 97044596
1-[2-amino-4-(3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 104529170

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one (CID 112583735) is 1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one is CCC(=O)c1ccc(-n2nc(C)cc2C)cn1.
What is the InChIKey of 1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one?
The InChIKey is ACLSMMGWYKOFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-4-13(17)12-6-5-11(8-14-12)16-10(3)7-9(2)15-16/h5-8H,4H2,1-3H3.
What are the key properties of 1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one?
1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one has a molecular weight of 229.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one is sourced from PubChem (CID 112583735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).