1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine

C22H25FN4O — CID 153409903

IUPAC1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine
SMILESCCN1CCN(c2ccc(-n3nccc3-c3cccc(OCF)c3)cc2)CC1
InChIInChI=1S/C22H25FN4O/c1-2-25-12-14-26(15-13-25)19-6-8-20(9-7-19)27-22(10-11-24-27)18-4-3-5-21(16-18)28-17-23/h3-11,16H,2,12-15,17H2,1H3
InChIKeyRHJFLYRHOICIRF-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.99
Rot. Bonds6

About 1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine

1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine (PubChem CID 153409903) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine
PubChem CID153409903
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine
SMILESCCN1CCN(c2ccc(-n3nccc3-c3cccc(OCF)c3)cc2)CC1
InChIInChI=1S/C22H25FN4O/c1-2-25-12-14-26(15-13-25)19-6-8-20(9-7-19)27-22(10-11-24-27)18-4-3-5-21(16-18)28-17-23/h3-11,16H,2,12-15,17H2,1H3
InChIKeyRHJFLYRHOICIRF-UHFFFAOYSA-N
XLogP3.99
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine?
The IUPAC name of 1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine (CID 153409903) is 1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine?
The canonical SMILES for 1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine is CCN1CCN(c2ccc(-n3nccc3-c3cccc(OCF)c3)cc2)CC1.
What is the InChIKey of 1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine?
The InChIKey is RHJFLYRHOICIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-2-25-12-14-26(15-13-25)19-6-8-20(9-7-19)27-22(10-11-24-27)18-4-3-5-21(16-18)28-17-23/h3-11,16H,2,12-15,17H2,1H3.
What are the key properties of 1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine?
1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine has a molecular weight of 380.47 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-[5-[3-(fluoromethoxy)phenyl]pyrazol-1-yl]phenyl]piperazine is sourced from PubChem (CID 153409903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).