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

C15H14FN3O — CID 43534821

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2ccc(-c3ccc(F)cc3)o2)cn1
InChIInChI=1S/C15H14FN3O/c1-19-10-13(8-18-19)17-9-14-6-7-15(20-14)11-2-4-12(16)5-3-11/h2-8,10,17H,9H2,1H3
InChIKeySYBOTRKOQIZPFS-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.43
Rot. Bonds4

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

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine (PubChem CID 43534821) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine
PubChem CID43534821
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2ccc(-c3ccc(F)cc3)o2)cn1
InChIInChI=1S/C15H14FN3O/c1-19-10-13(8-18-19)17-9-14-6-7-15(20-14)11-2-4-12(16)5-3-11/h2-8,10,17H,9H2,1H3
InChIKeySYBOTRKOQIZPFS-UHFFFAOYSA-N
XLogP3.43
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.43
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)furan-2-yl]methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine (CID 43534821) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine is Cn1cc(NCc2ccc(-c3ccc(F)cc3)o2)cn1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine?
The InChIKey is SYBOTRKOQIZPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-19-10-13(8-18-19)17-9-14-6-7-15(20-14)11-2-4-12(16)5-3-11/h2-8,10,17H,9H2,1H3.
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine has a molecular weight of 271.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 43534821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).