N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine

C17H20FN3O2 — CID 51105299

IUPACN-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine
SMILESCOc1c(CNCc2oc3ccc(F)cc3c2C)c(C)nn1C
InChIInChI=1S/C17H20FN3O2/c1-10-13-7-12(18)5-6-15(13)23-16(10)9-19-8-14-11(2)20-21(3)17(14)22-4/h5-7,19H,8-9H2,1-4H3
InChIKeyBJRYDQAFFHKTGD-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.22
Rot. Bonds5

About N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine

N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine (PubChem CID 51105299) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine
PubChem CID51105299
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine
SMILESCOc1c(CNCc2oc3ccc(F)cc3c2C)c(C)nn1C
InChIInChI=1S/C17H20FN3O2/c1-10-13-7-12(18)5-6-15(13)23-16(10)9-19-8-14-11(2)20-21(3)17(14)22-4/h5-7,19H,8-9H2,1-4H3
InChIKeyBJRYDQAFFHKTGD-UHFFFAOYSA-N
XLogP3.22
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine with MolForge

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Related Compounds

1-(2-bromo-4-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 51105241
1-ethyl-3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952351
N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylethane-1,2-diamine
CID 113405179
3-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methylamino]propan-1-ol
CID 113410126
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 113229317
(2R)-1-(4-fluorophenoxy)-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 94815890
2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 115603366
(5S)-7-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 52537720
1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 51105302
2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 119754065
4-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-nitroaniline
CID 104705481
1-ethyl-5-fluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]benzimidazol-2-amine
CID 86802847

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine (CID 51105299) is N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine is COc1c(CNCc2oc3ccc(F)cc3c2C)c(C)nn1C.
What is the InChIKey of N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine?
The InChIKey is BJRYDQAFFHKTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-10-13-7-12(18)5-6-15(13)23-16(10)9-19-8-14-11(2)20-21(3)17(14)22-4/h5-7,19H,8-9H2,1-4H3.
What are the key properties of N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine?
N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine has a molecular weight of 317.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 51105299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).