1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one

C11H18N2O — CID 62126384

IUPAC1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
SMILESCCn1cc(CCC(=O)C(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-4-13-8-10(7-12-13)5-6-11(14)9(2)3/h7-9H,4-6H2,1-3H3
InChIKeyYZVWTZXWYWATRH-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.06
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one

1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one (PubChem CID 62126384) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
PubChem CID62126384
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
SMILESCCn1cc(CCC(=O)C(C)C)cn1
InChIInChI=1S/C11H18N2O/c1-4-13-8-10(7-12-13)5-6-11(14)9(2)3/h7-9H,4-6H2,1-3H3
InChIKeyYZVWTZXWYWATRH-UHFFFAOYSA-N
XLogP2.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
3-(1-ethylpyrazol-4-yl)propanehydrazide
CID 55281645
6-(1-ethylpyrazol-4-yl)hexan-3-one
CID 64521135
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
1-(butan-2-ylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116556301
2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65423313
2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide
CID 166416305
1-(1-ethylpyrazol-4-yl)-3-methylsulfanylpropan-2-one
CID 62691716
6-(1-ethylpyrazol-4-yl)hexan-3-ol
CID 64514398
1,4-diethylpyrazole;ethane
CID 143641951
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 166408899

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one (CID 62126384) is 1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one is CCn1cc(CCC(=O)C(C)C)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one?
The InChIKey is YZVWTZXWYWATRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-13-8-10(7-12-13)5-6-11(14)9(2)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one?
1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one has a molecular weight of 194.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one is sourced from PubChem (CID 62126384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).