1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one

C18H24N2O — CID 82699624

IUPAC1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one
SMILESCCC(=O)c1c(CC)nn(Cc2ccccc2C)c1CC
InChIInChI=1S/C18H24N2O/c1-5-15-18(17(21)7-3)16(6-2)20(19-15)12-14-11-9-8-10-13(14)4/h8-11H,5-7,12H2,1-4H3
InChIKeyPZZZJNVASOIJGH-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.96
Rot. Bonds6

About 1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one

1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one (PubChem CID 82699624) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one
PubChem CID82699624
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one
SMILESCCC(=O)c1c(CC)nn(Cc2ccccc2C)c1CC
InChIInChI=1S/C18H24N2O/c1-5-15-18(17(21)7-3)16(6-2)20(19-15)12-14-11-9-8-10-13(14)4/h8-11H,5-7,12H2,1-4H3
InChIKeyPZZZJNVASOIJGH-UHFFFAOYSA-N
XLogP3.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-diethyl-4-iodo-1-[(2-methylphenyl)methyl]pyrazole
CID 82703041
1-(1-benzyl-3,5-diethylpyrazol-4-yl)ethanone
CID 82697978
1-[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanone
CID 115984290
1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one
CID 82697993
3-ethyl-1-[(2-methylphenyl)methyl]pyrazole-5-carboxylic acid
CID 82294116
(1-benzyl-3,5-diethylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
CID 42820297
1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)propan-1-one
CID 82698096
5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine
CID 79542133
1-[3,5-diethyl-1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]propan-1-one
CID 82699731
[1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82696869
1-[(4-bromophenyl)methyl]-3,5-diethylpyrazole-4-carboxylic acid
CID 107430899
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethanone
CID 107984540

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one?
The IUPAC name of 1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one (CID 82699624) is 1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one.
What is the SMILES notation for 1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one?
The canonical SMILES for 1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one is CCC(=O)c1c(CC)nn(Cc2ccccc2C)c1CC.
What is the InChIKey of 1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one?
The InChIKey is PZZZJNVASOIJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-15-18(17(21)7-3)16(6-2)20(19-15)12-14-11-9-8-10-13(14)4/h8-11H,5-7,12H2,1-4H3.
What are the key properties of 1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one?
1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one has a molecular weight of 284.40 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-one is sourced from PubChem (CID 82699624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).