4-(2-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine

C13H10FN3O — CID 54977559

IUPAC4-(2-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccoc2)c1-c1ccccc1F
InChIInChI=1S/C13H10FN3O/c14-10-4-2-1-3-9(10)11-12(16-17-13(11)15)8-5-6-18-7-8/h1-7H,(H3,15,16,17)
InChIKeyXJPFHRJRILITHV-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.06
Rot. Bonds2

About 4-(2-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine

4-(2-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine (PubChem CID 54977559) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine
PubChem CID54977559
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name4-(2-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccoc2)c1-c1ccccc1F
InChIInChI=1S/C13H10FN3O/c14-10-4-2-1-3-9(10)11-12(16-17-13(11)15)8-5-6-18-7-8/h1-7H,(H3,15,16,17)
InChIKeyXJPFHRJRILITHV-UHFFFAOYSA-N
XLogP3.06
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine (CID 54977559) is 4-(2-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccoc2)c1-c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine?
The InChIKey is XJPFHRJRILITHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-10-4-2-1-3-9(10)11-12(16-17-13(11)15)8-5-6-18-7-8/h1-7H,(H3,15,16,17).
What are the key properties of 4-(2-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine?
4-(2-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine has a molecular weight of 243.24 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-(furan-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 54977559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).