1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

C23H24FN5O — CID 55511030

IUPAC1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCc1ccc(-c2noc(CN(C)Cc3c(C)nn(-c4ccccc4)c3C)n2)cc1F
InChIInChI=1S/C23H24FN5O/c1-15-10-11-18(12-21(15)24)23-25-22(30-27-23)14-28(4)13-20-16(2)26-29(17(20)3)19-8-6-5-7-9-19/h5-12H,13-14H2,1-4H3
InChIKeyROMBWZCIUDDKDB-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.62
Rot. Bonds6

About 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (PubChem CID 55511030) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
PubChem CID55511030
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
SMILESCc1ccc(-c2noc(CN(C)Cc3c(C)nn(-c4ccccc4)c3C)n2)cc1F
InChIInChI=1S/C23H24FN5O/c1-15-10-11-18(12-21(15)24)23-25-22(30-27-23)14-28(4)13-20-16(2)26-29(17(20)3)19-8-6-5-7-9-19/h5-12H,13-14H2,1-4H3
InChIKeyROMBWZCIUDDKDB-UHFFFAOYSA-N
XLogP4.62
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine (CID 55511030) is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is Cc1ccc(-c2noc(CN(C)Cc3c(C)nn(-c4ccccc4)c3C)n2)cc1F.
What is the InChIKey of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
The InChIKey is ROMBWZCIUDDKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-15-10-11-18(12-21(15)24)23-25-22(30-27-23)14-28(4)13-20-16(2)26-29(17(20)3)19-8-6-5-7-9-19/h5-12H,13-14H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine?
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine has a molecular weight of 405.48 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 55511030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).