N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

C23H23FN4O — CID 45184402

IUPACN-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
SMILESCc1cccc(-n2cc(CN(C)C(C)c3ccon3)c(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C23H23FN4O/c1-16-6-4-9-21(12-16)28-15-19(14-27(3)17(2)22-10-11-29-26-22)23(25-28)18-7-5-8-20(24)13-18/h4-13,15,17H,14H2,1-3H3
InChIKeyWYWWSFHVSWCUOF-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.17
Rot. Bonds6

About N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine (PubChem CID 45184402) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
PubChem CID45184402
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC NameN-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
SMILESCc1cccc(-n2cc(CN(C)C(C)c3ccon3)c(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C23H23FN4O/c1-16-6-4-9-21(12-16)28-15-19(14-27(3)17(2)22-10-11-29-26-22)23(25-28)18-7-5-8-20(24)13-18/h4-13,15,17H,14H2,1-3H3
InChIKeyWYWWSFHVSWCUOF-UHFFFAOYSA-N
XLogP5.17
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The IUPAC name of N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine (CID 45184402) is N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The canonical SMILES for N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine is Cc1cccc(-n2cc(CN(C)C(C)c3ccon3)c(-c3cccc(F)c3)n2)c1.
What is the InChIKey of N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The InChIKey is WYWWSFHVSWCUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-16-6-4-9-21(12-16)28-15-19(14-27(3)17(2)22-10-11-29-26-22)23(25-28)18-7-5-8-20(24)13-18/h4-13,15,17H,14H2,1-3H3.
What are the key properties of N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine has a molecular weight of 390.46 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 45184402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).