[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone

C16H22N4O2 — CID 118793944

IUPAC[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1n[nH]c(C)c1CCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H22N4O2/c1-12-14(13(2)18-17-12)5-6-19-7-9-20(10-8-19)16(21)15-4-3-11-22-15/h3-4,11H,5-10H2,1-2H3,(H,17,18)
InChIKeyXKAIULINOLWISX-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.62
Rot. Bonds4

About [4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 118793944) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID118793944
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1n[nH]c(C)c1CCN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H22N4O2/c1-12-14(13(2)18-17-12)5-6-19-7-9-20(10-8-19)16(21)15-4-3-11-22-15/h3-4,11H,5-10H2,1-2H3,(H,17,18)
InChIKeyXKAIULINOLWISX-UHFFFAOYSA-N
XLogP1.62
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 70732591
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 90508799
[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 844559
3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 86799659
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 113073111
1-[4-(2-aminoethyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 108518065
[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 71096247
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 118793944) is [4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone is Cc1n[nH]c(C)c1CCN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is XKAIULINOLWISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-14(13(2)18-17-12)5-6-19-7-9-20(10-8-19)16(21)15-4-3-11-22-15/h3-4,11H,5-10H2,1-2H3,(H,17,18).
What are the key properties of [4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 118793944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).