2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone

C15H22N4O — CID 105105447

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(C(=O)Cc2ccn(C(C)CC)n2)n(C)n1
InChIInChI=1S/C15H22N4O/c1-5-11(3)19-8-7-13(17-19)10-15(20)14-9-12(6-2)16-18(14)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyLNGYKEDHDRCXPB-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.58
Rot. Bonds6

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone

2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone (PubChem CID 105105447) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
PubChem CID105105447
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(C(=O)Cc2ccn(C(C)CC)n2)n(C)n1
InChIInChI=1S/C15H22N4O/c1-5-11(3)19-8-7-13(17-19)10-15(20)14-9-12(6-2)16-18(14)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyLNGYKEDHDRCXPB-UHFFFAOYSA-N
XLogP2.58
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 64783155
2-(1-butan-2-ylpyrazol-3-yl)-1-pyrimidin-4-ylethanone
CID 64783560
2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methylpyrazol-4-yl)ethanone
CID 65195239
1-(1-butan-2-ylpyrazol-3-yl)but-3-en-2-one
CID 103453597
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 105119427
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chloro-5-methylphenyl)ethanone
CID 114975578
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chloro-4-methylphenyl)ethanone
CID 114975624
1-(1-butan-2-ylpyrazol-3-yl)-3-methylbut-3-en-2-one
CID 103446393
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-ethoxyphenyl)ethanone
CID 114975551
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chloro-4-iodophenyl)ethanone
CID 103214153
1-(4-amino-3-bromophenyl)-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 116581979
1-(1-butan-2-ylpyrazol-3-yl)-3-methylhexan-2-one
CID 114975559

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone (CID 105105447) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone is CCc1cc(C(=O)Cc2ccn(C(C)CC)n2)n(C)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The InChIKey is LNGYKEDHDRCXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-11(3)19-8-7-13(17-19)10-15(20)14-9-12(6-2)16-18(14)4/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone has a molecular weight of 274.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 105105447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).