N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine

C23H23FN4O — CID 26328716

IUPACN-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine
SMILESCc1cccc(-n2cc(CN(C)Cc3cc(C)no3)c(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C23H23FN4O/c1-16-6-4-9-21(10-16)28-14-19(13-27(3)15-22-11-17(2)26-29-22)23(25-28)18-7-5-8-20(24)12-18/h4-12,14H,13,15H2,1-3H3
InChIKeyUZHWIUIZXKQJDZ-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.92
Rot. Bonds6

About N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine

N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine (PubChem CID 26328716) 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-(3-methyl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine
PubChem CID26328716
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-(3-methyl-1,2-oxazol-5-yl)methanamine
SMILESCc1cccc(-n2cc(CN(C)Cc3cc(C)no3)c(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C23H23FN4O/c1-16-6-4-9-21(10-16)28-14-19(13-27(3)15-22-11-17(2)26-29-22)23(25-28)18-7-5-8-20(24)12-18/h4-12,14H,13,15H2,1-3H3
InChIKeyUZHWIUIZXKQJDZ-UHFFFAOYSA-N
XLogP4.92
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.92
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-(3-methyl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine (CID 26328716) is N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine is Cc1cccc(-n2cc(CN(C)Cc3cc(C)no3)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-(3-methyl-1,2-oxazol-5-yl)methanamine?
The InChIKey is UZHWIUIZXKQJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-16-6-4-9-21(10-16)28-14-19(13-27(3)15-22-11-17(2)26-29-22)23(25-28)18-7-5-8-20(24)12-18/h4-12,14H,13,15H2,1-3H3.
What are the key properties of N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine?
N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine has a molecular weight of 390.46 g/mol, XLogP of 4.92, 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-(3-methyl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 26328716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).