N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine

C20H18FN5 — CID 56900878

IUPACN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine
SMILESCN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccc2nccnc12
InChIInChI=1S/C20H18FN5/c1-25(14-16-3-2-4-19-20(16)23-10-9-22-19)12-15-11-24-26(13-15)18-7-5-17(21)6-8-18/h2-11,13H,12,14H2,1H3
InChIKeyFNOSVKFGJCBHOY-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.59
Rot. Bonds5

About N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine

N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine (PubChem CID 56900878) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine
PubChem CID56900878
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine
SMILESCN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccc2nccnc12
InChIInChI=1S/C20H18FN5/c1-25(14-16-3-2-4-19-20(16)23-10-9-22-19)12-15-11-24-26(13-15)18-7-5-17(21)6-8-18/h2-11,13H,12,14H2,1H3
InChIKeyFNOSVKFGJCBHOY-UHFFFAOYSA-N
XLogP3.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine (CID 56900878) is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine is CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccc2nccnc12.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine?
The InChIKey is FNOSVKFGJCBHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c1-25(14-16-3-2-4-19-20(16)23-10-9-22-19)12-15-11-24-26(13-15)18-7-5-17(21)6-8-18/h2-11,13H,12,14H2,1H3.
What are the key properties of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine?
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine has a molecular weight of 347.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-quinoxalin-5-ylmethanamine is sourced from PubChem (CID 56900878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).