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

C16H22N4O2 — CID 90508799

IUPAC[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(C)n(CCN2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C16H22N4O2/c1-13-12-14(2)20(17-13)10-7-18-5-8-19(9-6-18)16(21)15-4-3-11-22-15/h3-4,11-12H,5-10H2,1-2H3
InChIKeyXPYHSVDOOZGDON-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.55
Rot. Bonds4

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

[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 90508799) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID90508799
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCc1cc(C)n(CCN2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C16H22N4O2/c1-13-12-14(2)20(17-13)10-7-18-5-8-19(9-6-18)16(21)15-4-3-11-22-15/h3-4,11-12H,5-10H2,1-2H3
InChIKeyXPYHSVDOOZGDON-UHFFFAOYSA-N
XLogP1.55
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 35323959
[4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110681725
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,4-diazepan-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 71790579
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
(5-chlorothiophen-2-yl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 52907395
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
[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-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 118793944
1-[4-(2-aminoethyl)piperazin-1-yl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 108518065
(4-tert-butylphenyl)-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,4-diazepan-1-yl]methanone;hydrochloride
CID 71790581

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 90508799) is [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone is Cc1cc(C)n(CCN2CCN(C(=O)c3ccco3)CC2)n1.
What is the InChIKey of [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is XPYHSVDOOZGDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-13-12-14(2)20(17-13)10-7-18-5-8-19(9-6-18)16(21)15-4-3-11-22-15/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 90508799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).