[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone

C17H22N4O — CID 82528703

IUPAC[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone
SMILESCCc1ccccc1-n1ncc(C(=O)N2CCNCC2)c1C
InChIInChI=1S/C17H22N4O/c1-3-14-6-4-5-7-16(14)21-13(2)15(12-19-21)17(22)20-10-8-18-9-11-20/h4-7,12,18H,3,8-11H2,1-2H3
InChIKeyFGUSYCDOVYGYMT-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.79
Rot. Bonds3

About [1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone

[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone (PubChem CID 82528703) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone
PubChem CID82528703
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone
SMILESCCc1ccccc1-n1ncc(C(=O)N2CCNCC2)c1C
InChIInChI=1S/C17H22N4O/c1-3-14-6-4-5-7-16(14)21-13(2)15(12-19-21)17(22)20-10-8-18-9-11-20/h4-7,12,18H,3,8-11H2,1-2H3
InChIKeyFGUSYCDOVYGYMT-UHFFFAOYSA-N
XLogP1.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 82528578
[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone
CID 82528763
(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 134023843
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 111758263
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645720
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 119402258
[4-(ethylaminomethyl)piperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 119644898
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 134026359
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561305
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995115
[2-(hydroxymethyl)phenyl]-piperazin-1-ylmethanone
CID 82509255
[4-(methylaminomethyl)piperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119543374

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone (CID 82528703) is [1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone is CCc1ccccc1-n1ncc(C(=O)N2CCNCC2)c1C.
What is the InChIKey of [1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone?
The InChIKey is FGUSYCDOVYGYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-14-6-4-5-7-16(14)21-13(2)15(12-19-21)17(22)20-10-8-18-9-11-20/h4-7,12,18H,3,8-11H2,1-2H3.
What are the key properties of [1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone?
[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone has a molecular weight of 298.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 82528703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).