1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one

C14H17N3O — CID 105084640

IUPAC1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one
SMILESCCn1cc(CC(=O)CCc2ccccn2)cn1
InChIInChI=1S/C14H17N3O/c1-2-17-11-12(10-16-17)9-14(18)7-6-13-5-3-4-8-15-13/h3-5,8,10-11H,2,6-7,9H2,1H3
InChIKeyJIMQMSXDVUYDEE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.04
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one

1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one (PubChem CID 105084640) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one
PubChem CID105084640
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one
SMILESCCn1cc(CC(=O)CCc2ccccn2)cn1
InChIInChI=1S/C14H17N3O/c1-2-17-11-12(10-16-17)9-14(18)7-6-13-5-3-4-8-15-13/h3-5,8,10-11H,2,6-7,9H2,1H3
InChIKeyJIMQMSXDVUYDEE-UHFFFAOYSA-N
XLogP2.04
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103023920
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
1-(5-ethylthiophen-2-yl)-4-pyridin-2-ylbutan-2-one
CID 105089327
1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine
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1-(ethylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116562677
1-(2-bromophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 62126241
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-pyridin-2-ylbutan-2-one
CID 105110656
6-(1-ethylpyrazol-4-yl)hexan-3-one
CID 64521135
1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
CID 62126384
5-methyl-1-pyridin-2-yloctan-3-one
CID 105091398
1-(2-chloro-6-fluorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 55144645

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one (CID 105084640) is 1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one is CCn1cc(CC(=O)CCc2ccccn2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one?
The InChIKey is JIMQMSXDVUYDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-17-11-12(10-16-17)9-14(18)7-6-13-5-3-4-8-15-13/h3-5,8,10-11H,2,6-7,9H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one?
1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-4-pyridin-2-ylbutan-2-one is sourced from PubChem (CID 105084640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).