ethane;1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine

C22H49FN4 — CID 142466751

IUPACethane;1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine
SMILESCC.CC.CC.CC.CCc1c(C)c(CN2CCN(CCF)CC2)nn1C
InChIInChI=1S/C14H25FN4.4C2H6/c1-4-14-12(2)13(16-17(14)3)11-19-9-7-18(6-5-15)8-10-19;4*1-2/h4-11H2,1-3H3;4*1-2H3
InChIKeyMVIXENDCIHXZRE-UHFFFAOYSA-N
MW388.66 g/mol
LogP5.48
Rot. Bonds5

About ethane;1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine

ethane;1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine (PubChem CID 142466751) has the molecular formula C22H49FN4 and a molecular weight of 388.66 g/mol. Its IUPAC name is ethane;1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine.

Molecular Properties

Compound Nameethane;1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine
PubChem CID142466751
Molecular FormulaC22H49FN4
Molecular Weight388.66 g/mol
Exact Mass388.39
IUPAC Nameethane;1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine
SMILESCC.CC.CC.CC.CCc1c(C)c(CN2CCN(CCF)CC2)nn1C
InChIInChI=1S/C14H25FN4.4C2H6/c1-4-14-12(2)13(16-17(14)3)11-19-9-7-18(6-5-15)8-10-19;4*1-2/h4-11H2,1-3H3;4*1-2H3
InChIKeyMVIXENDCIHXZRE-UHFFFAOYSA-N
XLogP5.48
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.66
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine?
The IUPAC name of ethane;1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine (CID 142466751) is ethane;1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine.
What is the SMILES notation for ethane;1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine?
The canonical SMILES for ethane;1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine is CC.CC.CC.CC.CCc1c(C)c(CN2CCN(CCF)CC2)nn1C.
What is the InChIKey of ethane;1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine?
The InChIKey is MVIXENDCIHXZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN4.4C2H6/c1-4-14-12(2)13(16-17(14)3)11-19-9-7-18(6-5-15)8-10-19;4*1-2/h4-11H2,1-3H3;4*1-2H3.
What are the key properties of ethane;1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine?
ethane;1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine has a molecular weight of 388.66 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-4-(2-fluoroethyl)piperazine is sourced from PubChem (CID 142466751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).