[1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone

C17H22N4O — CID 82528578

IUPAC[1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone
SMILESCc1cccc(-n2ncc(C(=O)N3CCNCC3)c2C)c1C
InChIInChI=1S/C17H22N4O/c1-12-5-4-6-16(13(12)2)21-14(3)15(11-19-21)17(22)20-9-7-18-8-10-20/h4-6,11,18H,7-10H2,1-3H3
InChIKeyWBYAEHKNTVOXSW-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.84
Rot. Bonds2

About [1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone

[1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone (PubChem CID 82528578) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone
PubChem CID82528578
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone
SMILESCc1cccc(-n2ncc(C(=O)N3CCNCC3)c2C)c1C
InChIInChI=1S/C17H22N4O/c1-12-5-4-6-16(13(12)2)21-14(3)15(11-19-21)17(22)20-9-7-18-8-10-20/h4-6,11,18H,7-10H2,1-3H3
InChIKeyWBYAEHKNTVOXSW-UHFFFAOYSA-N
XLogP1.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-ethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 82528703
[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-piperazin-1-ylmethanone
CID 82528763
[1-(2-chlorophenyl)-5-piperidin-4-ylpyrazol-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone;hydrochloride
CID 146053322
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 134026359
1-(2,3-dimethylphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 82300551
[4-(methylaminomethyl)piperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119543374
[4-(ethylaminomethyl)piperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 119644898
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 111758263
[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
(4-ethylpiperazin-1-yl)-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 134023843
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 120878269

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone (CID 82528578) is [1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone is Cc1cccc(-n2ncc(C(=O)N3CCNCC3)c2C)c1C.
What is the InChIKey of [1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone?
The InChIKey is WBYAEHKNTVOXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-5-4-6-16(13(12)2)21-14(3)15(11-19-21)17(22)20-9-7-18-8-10-20/h4-6,11,18H,7-10H2,1-3H3.
What are the key properties of [1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone?
[1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone has a molecular weight of 298.39 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethylphenyl)-5-methylpyrazol-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 82528578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).