N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine

C21H19FN4O — CID 46990476

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine
SMILESFc1ccc(-c2[nH]ncc2CN(Cc2ccccn2)Cc2ccco2)cc1
InChIInChI=1S/C21H19FN4O/c22-18-8-6-16(7-9-18)21-17(12-24-25-21)13-26(15-20-5-3-11-27-20)14-19-4-1-2-10-23-19/h1-12H,13-15H2,(H,24,25)
InChIKeyXEJQTUWBGXDLCU-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.41
Rot. Bonds7

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine (PubChem CID 46990476) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine
PubChem CID46990476
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine
SMILESFc1ccc(-c2[nH]ncc2CN(Cc2ccccn2)Cc2ccco2)cc1
InChIInChI=1S/C21H19FN4O/c22-18-8-6-16(7-9-18)21-17(12-24-25-21)13-26(15-20-5-3-11-27-20)14-19-4-1-2-10-23-19/h1-12H,13-15H2,(H,24,25)
InChIKeyXEJQTUWBGXDLCU-UHFFFAOYSA-N
XLogP4.41
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine (CID 46990476) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine is Fc1ccc(-c2[nH]ncc2CN(Cc2ccccn2)Cc2ccco2)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine?
The InChIKey is XEJQTUWBGXDLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-18-8-6-16(7-9-18)21-17(12-24-25-21)13-26(15-20-5-3-11-27-20)14-19-4-1-2-10-23-19/h1-12H,13-15H2,(H,24,25).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine has a molecular weight of 362.41 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 46990476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).