[4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C16H20N4O3 — CID 110681725

IUPAC[4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1C
InChIInChI=1S/C16H20N4O3/c1-3-20-12(2)11-13(17-20)15(21)18-6-8-19(9-7-18)16(22)14-5-4-10-23-14/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyLPMPQXKPLSILLL-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.40
Rot. Bonds3

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

[4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 110681725) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is [4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID110681725
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name[4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1C
InChIInChI=1S/C16H20N4O3/c1-3-20-12(2)11-13(17-20)15(21)18-6-8-19(9-7-18)16(22)14-5-4-10-23-14/h4-5,10-11H,3,6-9H2,1-2H3
InChIKeyLPMPQXKPLSILLL-UHFFFAOYSA-N
XLogP1.40
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 90508799
[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110854718
[2-(diethylamino)pyrimidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109310510
2-butyl-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridazin-3-one
CID 42161962
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 35323959
[4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 4581379
[4-[2-(cyclopropylamino)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109319711
[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 3433092
[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 844559
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763
furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 34470311
(1-ethyl-5-methylpyrazol-3-yl)-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709451

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 110681725) is [4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is CCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1C.
What is the InChIKey of [4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is LPMPQXKPLSILLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-20-12(2)11-13(17-20)15(21)18-6-8-19(9-7-18)16(22)14-5-4-10-23-14/h4-5,10-11H,3,6-9H2,1-2H3.
What are the key properties of [4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethyl-5-methylpyrazole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 110681725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).