1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C16H16FN3O — CID 61034800

IUPAC1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCc2ccc(-c3ccc(F)cc3)o2)cn1
InChIInChI=1S/C16H16FN3O/c1-20-11-12(9-19-20)8-18-10-15-6-7-16(21-15)13-2-4-14(17)5-3-13/h2-7,9,11,18H,8,10H2,1H3
InChIKeyBYZPUWXSJJIYNE-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.11
Rot. Bonds5

About 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine

1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 61034800) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID61034800
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCc2ccc(-c3ccc(F)cc3)o2)cn1
InChIInChI=1S/C16H16FN3O/c1-20-11-12(9-19-20)8-18-10-15-6-7-16(21-15)13-2-4-14(17)5-3-13/h2-7,9,11,18H,8,10H2,1H3
InChIKeyBYZPUWXSJJIYNE-UHFFFAOYSA-N
XLogP3.11
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine
CID 43534821
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 4723780
3-(1-methylpyrazol-4-yl)-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 119109208
N-[(1-methylpyrazol-4-yl)methyl]-1-(5-nitrofuran-2-yl)methanamine
CID 61350028
1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63001539
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine
CID 55738362
N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730059
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723536
4-[5-[[(4-fluorophenyl)methylamino]methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17056095
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1,3-dimethylpyrazol-4-amine
CID 104954383
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-2-methylsulfanylethanamine
CID 60663627
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 55387081

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 61034800) is 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine is Cn1cc(CNCc2ccc(-c3ccc(F)cc3)o2)cn1.
What is the InChIKey of 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is BYZPUWXSJJIYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-20-11-12(9-19-20)8-18-10-15-6-7-16(21-15)13-2-4-14(17)5-3-13/h2-7,9,11,18H,8,10H2,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 285.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)furan-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 61034800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).