2-(4-fluorophenyl)pyrazol-3-amine

C9H8FN3 — CID 12763782

IUPAC2-(4-fluorophenyl)pyrazol-3-amine
SMILESNc1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C9H8FN3/c10-7-1-3-8(4-2-7)13-9(11)5-6-12-13/h1-6H,11H2
InChIKeyKOTZBCKOEKMKPE-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.59
Rot. Bonds1

About 2-(4-fluorophenyl)pyrazol-3-amine

2-(4-fluorophenyl)pyrazol-3-amine (PubChem CID 12763782) has the molecular formula C9H8FN3 and a molecular weight of 177.18 g/mol. Its IUPAC name is 2-(4-fluorophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)pyrazol-3-amine
PubChem CID12763782
Molecular FormulaC9H8FN3
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name2-(4-fluorophenyl)pyrazol-3-amine
SMILESNc1ccnn1-c1ccc(F)cc1
InChIInChI=1S/C9H8FN3/c10-7-1-3-8(4-2-7)13-9(11)5-6-12-13/h1-6H,11H2
InChIKeyKOTZBCKOEKMKPE-UHFFFAOYSA-N
XLogP1.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)pyrazol-3-amine?
The IUPAC name of 2-(4-fluorophenyl)pyrazol-3-amine (CID 12763782) is 2-(4-fluorophenyl)pyrazol-3-amine.
What is the SMILES notation for 2-(4-fluorophenyl)pyrazol-3-amine?
The canonical SMILES for 2-(4-fluorophenyl)pyrazol-3-amine is Nc1ccnn1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)pyrazol-3-amine?
The InChIKey is KOTZBCKOEKMKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3/c10-7-1-3-8(4-2-7)13-9(11)5-6-12-13/h1-6H,11H2.
What are the key properties of 2-(4-fluorophenyl)pyrazol-3-amine?
2-(4-fluorophenyl)pyrazol-3-amine has a molecular weight of 177.18 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)pyrazol-3-amine is sourced from PubChem (CID 12763782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).