1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine

C14H12FN3O — CID 12018220

IUPAC1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine
SMILESNc1cc(-c2ccco2)nn1Cc1ccccc1F
InChIInChI=1S/C14H12FN3O/c15-11-5-2-1-4-10(11)9-18-14(16)8-12(17-18)13-6-3-7-19-13/h1-8H,9,16H2
InChIKeyZZYWPSYXIJAKIG-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.91
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine

1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine (PubChem CID 12018220) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine
PubChem CID12018220
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine
SMILESNc1cc(-c2ccco2)nn1Cc1ccccc1F
InChIInChI=1S/C14H12FN3O/c15-11-5-2-1-4-10(11)9-18-14(16)8-12(17-18)13-6-3-7-19-13/h1-8H,9,16H2
InChIKeyZZYWPSYXIJAKIG-UHFFFAOYSA-N
XLogP2.91
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine (CID 12018220) is 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine is Nc1cc(-c2ccco2)nn1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine?
The InChIKey is ZZYWPSYXIJAKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c15-11-5-2-1-4-10(11)9-18-14(16)8-12(17-18)13-6-3-7-19-13/h1-8H,9,16H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine?
1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine has a molecular weight of 257.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(furan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 12018220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).