4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine

C14H10ClFN4 — CID 1478416

IUPAC4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine
SMILESNc1nn(-c2cccc(F)n2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClFN4/c15-10-6-4-9(5-7-10)11-8-20(19-14(11)17)13-3-1-2-12(16)18-13/h1-8H,(H2,17,19)
InChIKeyDTVVDWOJSTZXJT-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.31
Rot. Bonds2

About 4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine

4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine (PubChem CID 1478416) has the molecular formula C14H10ClFN4 and a molecular weight of 288.71 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine
PubChem CID1478416
Molecular FormulaC14H10ClFN4
Molecular Weight288.71 g/mol
Exact Mass288.06
IUPAC Name4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine
SMILESNc1nn(-c2cccc(F)n2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClFN4/c15-10-6-4-9(5-7-10)11-8-20(19-14(11)17)13-3-1-2-12(16)18-13/h1-8H,(H2,17,19)
InChIKeyDTVVDWOJSTZXJT-UHFFFAOYSA-N
XLogP3.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine?
The IUPAC name of 4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine (CID 1478416) is 4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine?
The canonical SMILES for 4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine is Nc1nn(-c2cccc(F)n2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine?
The InChIKey is DTVVDWOJSTZXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4/c15-10-6-4-9(5-7-10)11-8-20(19-14(11)17)13-3-1-2-12(16)18-13/h1-8H,(H2,17,19).
What are the key properties of 4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine?
4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine has a molecular weight of 288.71 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-(6-fluoro-2-pyridinyl)pyrazol-3-amine is sourced from PubChem (CID 1478416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).