1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone

C13H20N2O — CID 106797283

IUPAC1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone
SMILESCCc1cc(CC2(C(C)=O)CC2)n(CC)n1
InChIInChI=1S/C13H20N2O/c1-4-11-8-12(15(5-2)14-11)9-13(6-7-13)10(3)16/h8H,4-7,9H2,1-3H3
InChIKeyWSJDKWCZTJQFAO-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.38
Rot. Bonds5

About 1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone

1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone (PubChem CID 106797283) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone
PubChem CID106797283
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone
SMILESCCc1cc(CC2(C(C)=O)CC2)n(CC)n1
InChIInChI=1S/C13H20N2O/c1-4-11-8-12(15(5-2)14-11)9-13(6-7-13)10(3)16/h8H,4-7,9H2,1-3H3
InChIKeyWSJDKWCZTJQFAO-UHFFFAOYSA-N
XLogP2.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclohexyl]-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 116600727
1-[(1,3-diethylpyrazol-5-yl)methyl]-2-oxocyclohexane-1-carboxylic acid
CID 103574848
3-[(1,3-diethylpyrazol-5-yl)methyl]-2,2,5,5-tetramethyloxolan-3-ol
CID 79926993
[4-[(1,3-diethylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66025190
1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
CID 66465543
2-(1,3-diethylpyrazol-5-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580582
3-amino-1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopentan-1-ol
CID 80561654
4-(diethylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 79076883
N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66026910
1,3-diethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]pyrazole
CID 112564455
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone (CID 106797283) is 1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone is CCc1cc(CC2(C(C)=O)CC2)n(CC)n1.
What is the InChIKey of 1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone?
The InChIKey is WSJDKWCZTJQFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-11-8-12(15(5-2)14-11)9-13(6-7-13)10(3)16/h8H,4-7,9H2,1-3H3.
What are the key properties of 1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone?
1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone has a molecular weight of 220.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone is sourced from PubChem (CID 106797283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).