6-(1-ethylpyrazol-4-yl)hexan-3-one

C11H18N2O — CID 64521135

IUPAC6-(1-ethylpyrazol-4-yl)hexan-3-one
SMILESCCC(=O)CCCc1cnn(CC)c1
InChIInChI=1S/C11H18N2O/c1-3-11(14)7-5-6-10-8-12-13(4-2)9-10/h8-9H,3-7H2,1-2H3
InChIKeyNWWUSSFUVOKYOU-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.20
Rot. Bonds6

About 6-(1-ethylpyrazol-4-yl)hexan-3-one

6-(1-ethylpyrazol-4-yl)hexan-3-one (PubChem CID 64521135) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)hexan-3-one.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)hexan-3-one
PubChem CID64521135
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name6-(1-ethylpyrazol-4-yl)hexan-3-one
SMILESCCC(=O)CCCc1cnn(CC)c1
InChIInChI=1S/C11H18N2O/c1-3-11(14)7-5-6-10-8-12-13(4-2)9-10/h8-9H,3-7H2,1-2H3
InChIKeyNWWUSSFUVOKYOU-UHFFFAOYSA-N
XLogP2.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
7-(1-methylpyrazol-4-yl)heptan-3-one
CID 103015822
1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
CID 62126384
3-(1-ethylpyrazol-4-yl)propanehydrazide
CID 55281645
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
6-(1-ethylpyrazol-4-yl)hexan-3-ol
CID 64514398
2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide
CID 166416305
1-(1-ethylpyrazol-4-yl)-3-methylsulfanylpropan-2-one
CID 62691716
1,4-dipentylpyrazole
CID 70562897
1,4-diethylpyrazole;ethane
CID 143641951
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
4-[(1-ethylpyrazol-4-yl)methylamino]butanamide
CID 62126521

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)hexan-3-one?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)hexan-3-one (CID 64521135) is 6-(1-ethylpyrazol-4-yl)hexan-3-one.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)hexan-3-one?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)hexan-3-one is CCC(=O)CCCc1cnn(CC)c1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)hexan-3-one?
The InChIKey is NWWUSSFUVOKYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-11(14)7-5-6-10-8-12-13(4-2)9-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 6-(1-ethylpyrazol-4-yl)hexan-3-one?
6-(1-ethylpyrazol-4-yl)hexan-3-one has a molecular weight of 194.28 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)hexan-3-one is sourced from PubChem (CID 64521135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).