2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine

C21H25FN6 — CID 68741791

IUPAC2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
SMILESCCn1ncc(CC2CNCCN2c2nccnc2-c2ccc(F)cc2)c1C
InChIInChI=1S/C21H25FN6/c1-3-28-15(2)17(13-26-28)12-19-14-23-10-11-27(19)21-20(24-8-9-25-21)16-4-6-18(22)7-5-16/h4-9,13,19,23H,3,10-12,14H2,1-2H3
InChIKeyUCDNVDLQWFKQQD-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.83
Rot. Bonds5

About 2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine

2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine (PubChem CID 68741791) has the molecular formula C21H25FN6 and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine.

Molecular Properties

Compound Name2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
PubChem CID68741791
Molecular FormulaC21H25FN6
Molecular Weight380.47 g/mol
Exact Mass380.21
IUPAC Name2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
SMILESCCn1ncc(CC2CNCCN2c2nccnc2-c2ccc(F)cc2)c1C
InChIInChI=1S/C21H25FN6/c1-3-28-15(2)17(13-26-28)12-19-14-23-10-11-27(19)21-20(24-8-9-25-21)16-4-6-18(22)7-5-16/h4-9,13,19,23H,3,10-12,14H2,1-2H3
InChIKeyUCDNVDLQWFKQQD-UHFFFAOYSA-N
XLogP2.83
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine?
The IUPAC name of 2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine (CID 68741791) is 2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine.
What is the SMILES notation for 2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine?
The canonical SMILES for 2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine is CCn1ncc(CC2CNCCN2c2nccnc2-c2ccc(F)cc2)c1C.
What is the InChIKey of 2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine?
The InChIKey is UCDNVDLQWFKQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6/c1-3-28-15(2)17(13-26-28)12-19-14-23-10-11-27(19)21-20(24-8-9-25-21)16-4-6-18(22)7-5-16/h4-9,13,19,23H,3,10-12,14H2,1-2H3.
What are the key properties of 2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine?
2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine has a molecular weight of 380.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine is sourced from PubChem (CID 68741791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).