N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine

C16H16FN3O — CID 46982961

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine
SMILESCN(Cc1ccoc1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O/c1-20(9-12-6-7-21-11-12)10-14-8-18-19-16(14)13-2-4-15(17)5-3-13/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyYYIWLHLFPFPEEL-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.44
Rot. Bonds5

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine (PubChem CID 46982961) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine
PubChem CID46982961
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine
SMILESCN(Cc1ccoc1)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O/c1-20(9-12-6-7-21-11-12)10-14-8-18-19-16(14)13-2-4-15(17)5-3-13/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyYYIWLHLFPFPEEL-UHFFFAOYSA-N
XLogP3.44
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine (CID 46982961) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine is CN(Cc1ccoc1)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine?
The InChIKey is YYIWLHLFPFPEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-20(9-12-6-7-21-11-12)10-14-8-18-19-16(14)13-2-4-15(17)5-3-13/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine has a molecular weight of 285.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 46982961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).