3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline

C15H11F2N3 — CID 62772004

IUPAC3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline
SMILESNc1cc(F)c(-n2cc(-c3ccccc3)cn2)c(F)c1
InChIInChI=1S/C15H11F2N3/c16-13-6-12(18)7-14(17)15(13)20-9-11(8-19-20)10-4-2-1-3-5-10/h1-9H,18H2
InChIKeyUWAFPVYXFIFYQL-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.40
Rot. Bonds2

About 3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline

3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline (PubChem CID 62772004) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline.

Molecular Properties

Compound Name3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline
PubChem CID62772004
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline
SMILESNc1cc(F)c(-n2cc(-c3ccccc3)cn2)c(F)c1
InChIInChI=1S/C15H11F2N3/c16-13-6-12(18)7-14(17)15(13)20-9-11(8-19-20)10-4-2-1-3-5-10/h1-9H,18H2
InChIKeyUWAFPVYXFIFYQL-UHFFFAOYSA-N
XLogP3.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline?
The IUPAC name of 3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline (CID 62772004) is 3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline.
What is the SMILES notation for 3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline?
The canonical SMILES for 3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline is Nc1cc(F)c(-n2cc(-c3ccccc3)cn2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline?
The InChIKey is UWAFPVYXFIFYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c16-13-6-12(18)7-14(17)15(13)20-9-11(8-19-20)10-4-2-1-3-5-10/h1-9H,18H2.
What are the key properties of 3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline?
3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline has a molecular weight of 271.27 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(4-phenylpyrazol-1-yl)aniline is sourced from PubChem (CID 62772004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).