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

C19H26N4O — CID 110681721

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C
InChIInChI=1S/C19H26N4O/c1-5-23-15(3)13-17(20-23)19(24)22-11-9-21(10-12-22)18-8-6-7-14(2)16(18)4/h6-8,13H,5,9-12H2,1-4H3
InChIKeyYJVJTNZFLHRESV-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.79
Rot. Bonds3

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

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone (PubChem CID 110681721) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
PubChem CID110681721
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCn1nc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C
InChIInChI=1S/C19H26N4O/c1-5-23-15(3)13-17(20-23)19(24)22-11-9-21(10-12-22)18-8-6-7-14(2)16(18)4/h6-8,13H,5,9-12H2,1-4H3
InChIKeyYJVJTNZFLHRESV-UHFFFAOYSA-N
XLogP2.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethyl-5-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110681727
[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109360829
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110648961
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 2712772
[4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110681725
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylimidazo[1,2-b]pyridazin-6-yl)methanone
CID 155798999
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(dipropylamino)pyrimidin-4-yl]methanone
CID 109310419
(6-chloropyridazin-3-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 110678435
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-ethylpiperazin-1-yl)methanone
CID 108988492
(1-ethyl-5-methylpyrazol-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 42656730
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(propylamino)-2-pyridinyl]methanone
CID 109201209
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone (CID 110681721) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone is CCn1nc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone?
The InChIKey is YJVJTNZFLHRESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-23-15(3)13-17(20-23)19(24)22-11-9-21(10-12-22)18-8-6-7-14(2)16(18)4/h6-8,13H,5,9-12H2,1-4H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone has a molecular weight of 326.44 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 110681721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).