2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one

C17H22N2O — CID 63975916

IUPAC2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one
SMILESCCn1nccc1C(=O)C(CC)(CC)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-4-17(5-2,14-10-8-7-9-11-14)16(20)15-12-13-18-19(15)6-3/h7-13H,4-6H2,1-3H3
InChIKeyRBCDEJZIBINTMG-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.84
Rot. Bonds6

About 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one

2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one (PubChem CID 63975916) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one
PubChem CID63975916
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one
SMILESCCn1nccc1C(=O)C(CC)(CC)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-4-17(5-2,14-10-8-7-9-11-14)16(20)15-12-13-18-19(15)6-3/h7-13H,4-6H2,1-3H3
InChIKeyRBCDEJZIBINTMG-UHFFFAOYSA-N
XLogP3.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one
CID 116592620
2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one
CID 103447067
1-(2-ethylpyrazol-3-yl)-2-methoxy-2-methylbutan-1-one
CID 116746800
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
1-(2-ethylpyrazol-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
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1-(2-ethylpyrazol-3-yl)nonan-1-one
CID 114972411
1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethanone
CID 63974223
2-ethyl-2-hydroxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 103447030
2,2-dimethyl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 114972349
4-ethyl-4-phenylhexan-3-one
CID 63083231
1-(2-ethylpyrazol-3-yl)-3-methylsulfanylpropan-1-one
CID 105100320
2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one
CID 116611379

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one?
The IUPAC name of 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one (CID 63975916) is 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one.
What is the SMILES notation for 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one?
The canonical SMILES for 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one is CCn1nccc1C(=O)C(CC)(CC)c1ccccc1.
What is the InChIKey of 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one?
The InChIKey is RBCDEJZIBINTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-17(5-2,14-10-8-7-9-11-14)16(20)15-12-13-18-19(15)6-3/h7-13H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one?
2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one has a molecular weight of 270.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-ethylpyrazol-3-yl)-2-phenylbutan-1-one is sourced from PubChem (CID 63975916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).