1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine

C18H15F3N6 — CID 22244540

IUPAC1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
SMILES[N-]=[N+]=NCCc1ccc(-n2nc(C(F)(F)F)c(-c3ccccc3)c2N)cc1
InChIInChI=1S/C18H15F3N6/c19-18(20,21)16-15(13-4-2-1-3-5-13)17(22)27(25-16)14-8-6-12(7-9-14)10-11-24-26-23/h1-9H,10-11,22H2
InChIKeyMDBZQDRSVKGFQJ-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.99
Rot. Bonds5

About 1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine

1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 22244540) has the molecular formula C18H15F3N6 and a molecular weight of 372.35 g/mol. Its IUPAC name is 1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID22244540
Molecular FormulaC18H15F3N6
Molecular Weight372.35 g/mol
Exact Mass372.13
IUPAC Name1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine
SMILES[N-]=[N+]=NCCc1ccc(-n2nc(C(F)(F)F)c(-c3ccccc3)c2N)cc1
InChIInChI=1S/C18H15F3N6/c19-18(20,21)16-15(13-4-2-1-3-5-13)17(22)27(25-16)14-8-6-12(7-9-14)10-11-24-26-23/h1-9H,10-11,22H2
InChIKeyMDBZQDRSVKGFQJ-UHFFFAOYSA-N
XLogP4.99
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-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 1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine (CID 22244540) is 1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine is [N-]=[N+]=NCCc1ccc(-n2nc(C(F)(F)F)c(-c3ccccc3)c2N)cc1.
What is the InChIKey of 1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is MDBZQDRSVKGFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6/c19-18(20,21)16-15(13-4-2-1-3-5-13)17(22)27(25-16)14-8-6-12(7-9-14)10-11-24-26-23/h1-9H,10-11,22H2.
What are the key properties of 1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine?
1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 372.35 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-azidoethyl)phenyl]-4-phenyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 22244540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).