1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one

C15H19N3O — CID 105109905

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one
SMILESCCc1cc(CC(=O)CCc2cccnc2)n(C)n1
InChIInChI=1S/C15H19N3O/c1-3-13-9-14(18(2)17-13)10-15(19)7-6-12-5-4-8-16-11-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3
InChIKeyHFMAJJZVJOVYHX-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.12
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one

1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one (PubChem CID 105109905) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one
PubChem CID105109905
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one
SMILESCCc1cc(CC(=O)CCc2cccnc2)n(C)n1
InChIInChI=1S/C15H19N3O/c1-3-13-9-14(18(2)17-13)10-15(19)7-6-12-5-4-8-16-11-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3
InChIKeyHFMAJJZVJOVYHX-UHFFFAOYSA-N
XLogP2.12
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
6-methyl-1-pyridin-3-ylheptane-3,5-dione
CID 159181392
5-methyl-1-pyridin-3-ylheptan-3-one
CID 105091617
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
5,5-dimethyl-1-pyridin-3-ylhexan-3-one
CID 58286829
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one
CID 116603391
4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 105086241
1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one
CID 105107258
1-(3-chloro-4-fluorophenyl)-4-pyridin-3-ylbutan-2-one
CID 103042840

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one (CID 105109905) is 1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one is CCc1cc(CC(=O)CCc2cccnc2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one?
The InChIKey is HFMAJJZVJOVYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-13-9-14(18(2)17-13)10-15(19)7-6-12-5-4-8-16-11-12/h4-5,8-9,11H,3,6-7,10H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one?
1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one is sourced from PubChem (CID 105109905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).