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

C14H12FN3O — CID 114821031

IUPAC4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2cccc(F)c2)co1
InChIInChI=1S/C14H12FN3O/c1-8-5-10(7-19-8)13-12(14(16)18-17-13)9-3-2-4-11(15)6-9/h2-7H,1H3,(H3,16,17,18)
InChIKeyZPORAIVDMGXYCF-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.37
Rot. Bonds2

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

4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine (PubChem CID 114821031) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
PubChem CID114821031
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
SMILESCc1cc(-c2[nH]nc(N)c2-c2cccc(F)c2)co1
InChIInChI=1S/C14H12FN3O/c1-8-5-10(7-19-8)13-12(14(16)18-17-13)9-3-2-4-11(15)6-9/h2-7H,1H3,(H3,16,17,18)
InChIKeyZPORAIVDMGXYCF-UHFFFAOYSA-N
XLogP3.37
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine (CID 114821031) is 4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine is Cc1cc(-c2[nH]nc(N)c2-c2cccc(F)c2)co1.
What is the InChIKey of 4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine?
The InChIKey is ZPORAIVDMGXYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-8-5-10(7-19-8)13-12(14(16)18-17-13)9-3-2-4-11(15)6-9/h2-7H,1H3,(H3,16,17,18).
What are the key properties of 4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine?
4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine has a molecular weight of 257.27 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 114821031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).