1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

C23H24FN5O — CID 42509932

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCc1cc(C)n(-c2cccc(CN(C)Cc3nc(Cc4ccccc4F)no3)c2)n1
InChIInChI=1S/C23H24FN5O/c1-16-11-17(2)29(26-16)20-9-6-7-18(12-20)14-28(3)15-23-25-22(27-30-23)13-19-8-4-5-10-21(19)24/h4-12H,13-15H2,1-3H3
InChIKeyPVIROHVPAGXJHK-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.23
Rot. Bonds7

About 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (PubChem CID 42509932) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
PubChem CID42509932
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCc1cc(C)n(-c2cccc(CN(C)Cc3nc(Cc4ccccc4F)no3)c2)n1
InChIInChI=1S/C23H24FN5O/c1-16-11-17(2)29(26-16)20-9-6-7-18(12-20)14-28(3)15-23-25-22(27-30-23)13-19-8-4-5-10-21(19)24/h4-12H,13-15H2,1-3H3
InChIKeyPVIROHVPAGXJHK-UHFFFAOYSA-N
XLogP4.23
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (CID 42509932) is 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is Cc1cc(C)n(-c2cccc(CN(C)Cc3nc(Cc4ccccc4F)no3)c2)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The InChIKey is PVIROHVPAGXJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-16-11-17(2)29(26-16)20-9-6-7-18(12-20)14-28(3)15-23-25-22(27-30-23)13-19-8-4-5-10-21(19)24/h4-12H,13-15H2,1-3H3.
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine has a molecular weight of 405.48 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 42509932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).