1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone

C12H13N3O — CID 105110466

IUPAC1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone
SMILESCc1cc(C(=O)Cc2ccncc2)n(C)n1
InChIInChI=1S/C12H13N3O/c1-9-7-11(15(2)14-9)12(16)8-10-3-5-13-6-4-10/h3-7H,8H2,1-2H3
InChIKeyKIPUHAHBCJYSBN-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.55
Rot. Bonds3

About 1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone

1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone (PubChem CID 105110466) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone
PubChem CID105110466
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone
SMILESCc1cc(C(=O)Cc2ccncc2)n(C)n1
InChIInChI=1S/C12H13N3O/c1-9-7-11(15(2)14-9)12(16)8-10-3-5-13-6-4-10/h3-7H,8H2,1-2H3
InChIKeyKIPUHAHBCJYSBN-UHFFFAOYSA-N
XLogP1.55
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
CID 105078035
2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
CID 105124609
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 105109337
2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
CID 105088833
N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 75449858
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 42796231
1-(2,5-dimethylpyrazol-3-yl)-3-thiophen-2-ylpropan-1-one
CID 105101493
1-(3,6-dimethylpyridazin-4-yl)-2-pyridin-4-ylethanone
CID 105110455
1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone
CID 58514854
ethyl 3-(2,5-dimethylpyrazol-3-yl)-3-oxopropanoate
CID 6422536
(2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105129319
1-(4-methylphenyl)-2-pyridin-4-ylethanone
CID 11367827

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone (CID 105110466) is 1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone is Cc1cc(C(=O)Cc2ccncc2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone?
The InChIKey is KIPUHAHBCJYSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-7-11(15(2)14-9)12(16)8-10-3-5-13-6-4-10/h3-7H,8H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone?
1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone has a molecular weight of 215.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 105110466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).