N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine

C22H21FN4O2 — CID 25367281

IUPACN-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2ccno2)c(F)c1
InChIInChI=1S/C22H21FN4O2/c1-26(15-19-10-11-24-29-19)13-16-14-27(17-6-4-3-5-7-17)25-22(16)20-9-8-18(28-2)12-21(20)23/h3-12,14H,13,15H2,1-2H3
InChIKeyVVOLTWWGDFGJSW-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.31
Rot. Bonds7

About N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine

N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine (PubChem CID 25367281) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
PubChem CID25367281
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC NameN-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2ccno2)c(F)c1
InChIInChI=1S/C22H21FN4O2/c1-26(15-19-10-11-24-29-19)13-16-14-27(17-6-4-3-5-7-17)25-22(16)20-9-8-18(28-2)12-21(20)23/h3-12,14H,13,15H2,1-2H3
InChIKeyVVOLTWWGDFGJSW-UHFFFAOYSA-N
XLogP4.31
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine (CID 25367281) is N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine is COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2ccno2)c(F)c1.
What is the InChIKey of N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine?
The InChIKey is VVOLTWWGDFGJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-26(15-19-10-11-24-29-19)13-16-14-27(17-6-4-3-5-7-17)25-22(16)20-9-8-18(28-2)12-21(20)23/h3-12,14H,13,15H2,1-2H3.
What are the key properties of N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine?
N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine has a molecular weight of 392.43 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 25367281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).