1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone

C16H24N4O — CID 82699587

IUPAC1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone
SMILESCCc1nn(Cc2cc(C)nn2CC)c(CC)c1C(C)=O
InChIInChI=1S/C16H24N4O/c1-6-14-16(12(5)21)15(7-2)20(18-14)10-13-9-11(4)17-19(13)8-3/h9H,6-8,10H2,1-5H3
InChIKeyQEBKXUUWSABQAA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.78
Rot. Bonds6

About 1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone

1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone (PubChem CID 82699587) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone
PubChem CID82699587
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone
SMILESCCc1nn(Cc2cc(C)nn2CC)c(CC)c1C(C)=O
InChIInChI=1S/C16H24N4O/c1-6-14-16(12(5)21)15(7-2)20(18-14)10-13-9-11(4)17-19(13)8-3/h9H,6-8,10H2,1-5H3
InChIKeyQEBKXUUWSABQAA-UHFFFAOYSA-N
XLogP2.78
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzyl-3,5-diethylpyrazol-4-yl)ethanone
CID 82697978
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone
CID 82697422
1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone
CID 82699599
2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone
CID 82697995
1-[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanone
CID 115984290
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethyl-4-iodopyrazole
CID 82702643
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone
CID 102811780
3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
CID 116560245
4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 116550798
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115779721
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-5-methyltriazol-4-amine
CID 79542426

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone?
The IUPAC name of 1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone (CID 82699587) is 1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone is CCc1nn(Cc2cc(C)nn2CC)c(CC)c1C(C)=O.
What is the InChIKey of 1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone?
The InChIKey is QEBKXUUWSABQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-6-14-16(12(5)21)15(7-2)20(18-14)10-13-9-11(4)17-19(13)8-3/h9H,6-8,10H2,1-5H3.
What are the key properties of 1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone?
1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone is sourced from PubChem (CID 82699587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).