1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone

C14H24N2O2 — CID 82697422

IUPAC1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone
SMILESCCc1nn(CCOC(C)C)c(CC)c1C(C)=O
InChIInChI=1S/C14H24N2O2/c1-6-12-14(11(5)17)13(7-2)16(15-12)8-9-18-10(3)4/h10H,6-9H2,1-5H3
InChIKeyAOVJBXPQXFILOY-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.64
Rot. Bonds7

About 1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone

1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone (PubChem CID 82697422) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone
PubChem CID82697422
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone
SMILESCCc1nn(CCOC(C)C)c(CC)c1C(C)=O
InChIInChI=1S/C14H24N2O2/c1-6-12-14(11(5)17)13(7-2)16(15-12)8-9-18-10(3)4/h10H,6-9H2,1-5H3
InChIKeyAOVJBXPQXFILOY-UHFFFAOYSA-N
XLogP2.64
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole
CID 82699042
4-(1-chloroethyl)-3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazole
CID 82700077
1-[3,5-diethyl-1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]propan-1-one
CID 82699731
1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one
CID 82697993
1-(1-benzyl-3,5-diethylpyrazol-4-yl)ethanone
CID 82697978
1-[3,5-diethyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazol-4-yl]ethanone
CID 82699599
1-[3,5-diethyl-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanone
CID 82699587
1-[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanone
CID 115984290
1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63754414
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol
CID 82698165
2,2,2-trifluoro-1-(1,3,5-triethylpyrazol-4-yl)ethanone
CID 82697995
1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine
CID 113437167

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone?
The IUPAC name of 1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone (CID 82697422) is 1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone is CCc1nn(CCOC(C)C)c(CC)c1C(C)=O.
What is the InChIKey of 1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone?
The InChIKey is AOVJBXPQXFILOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-6-12-14(11(5)17)13(7-2)16(15-12)8-9-18-10(3)4/h10H,6-9H2,1-5H3.
What are the key properties of 1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone?
1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone has a molecular weight of 252.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 82697422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).