3-(4-fluorophenyl)-1-phenylpyrazol-4-amine

C15H12FN3 — CID 2104091

IUPAC3-(4-fluorophenyl)-1-phenylpyrazol-4-amine
SMILESNc1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H12FN3/c16-12-8-6-11(7-9-12)15-14(17)10-19(18-15)13-4-2-1-3-5-13/h1-10H,17H2
InChIKeyLANRKJGDDNBSTC-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.26
Rot. Bonds2

About 3-(4-fluorophenyl)-1-phenylpyrazol-4-amine

3-(4-fluorophenyl)-1-phenylpyrazol-4-amine (PubChem CID 2104091) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-phenylpyrazol-4-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-phenylpyrazol-4-amine
PubChem CID2104091
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name3-(4-fluorophenyl)-1-phenylpyrazol-4-amine
SMILESNc1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H12FN3/c16-12-8-6-11(7-9-12)15-14(17)10-19(18-15)13-4-2-1-3-5-13/h1-10H,17H2
InChIKeyLANRKJGDDNBSTC-UHFFFAOYSA-N
XLogP3.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-phenylpyrazol-4-amine?
The IUPAC name of 3-(4-fluorophenyl)-1-phenylpyrazol-4-amine (CID 2104091) is 3-(4-fluorophenyl)-1-phenylpyrazol-4-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-phenylpyrazol-4-amine?
The canonical SMILES for 3-(4-fluorophenyl)-1-phenylpyrazol-4-amine is Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-phenylpyrazol-4-amine?
The InChIKey is LANRKJGDDNBSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-12-8-6-11(7-9-12)15-14(17)10-19(18-15)13-4-2-1-3-5-13/h1-10H,17H2.
What are the key properties of 3-(4-fluorophenyl)-1-phenylpyrazol-4-amine?
3-(4-fluorophenyl)-1-phenylpyrazol-4-amine has a molecular weight of 253.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-phenylpyrazol-4-amine is sourced from PubChem (CID 2104091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).