2-pyrazol-1-yl-5-(trifluoromethyl)aniline

C10H8F3N3 — CID 7064033

IUPAC2-pyrazol-1-yl-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1-n1cccn1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)7-2-3-9(8(14)6-7)16-5-1-4-15-16/h1-6H,14H2
InChIKeyVLUQHVNLXBAREY-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.47
Rot. Bonds1

About 2-pyrazol-1-yl-5-(trifluoromethyl)aniline

2-pyrazol-1-yl-5-(trifluoromethyl)aniline (PubChem CID 7064033) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 2-pyrazol-1-yl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-pyrazol-1-yl-5-(trifluoromethyl)aniline
PubChem CID7064033
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name2-pyrazol-1-yl-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1-n1cccn1
InChIInChI=1S/C10H8F3N3/c11-10(12,13)7-2-3-9(8(14)6-7)16-5-1-4-15-16/h1-6H,14H2
InChIKeyVLUQHVNLXBAREY-UHFFFAOYSA-N
XLogP2.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.47
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 2-pyrazol-1-yl-5-(trifluoromethyl)aniline?
The IUPAC name of 2-pyrazol-1-yl-5-(trifluoromethyl)aniline (CID 7064033) is 2-pyrazol-1-yl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-pyrazol-1-yl-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-pyrazol-1-yl-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1-n1cccn1.
What is the InChIKey of 2-pyrazol-1-yl-5-(trifluoromethyl)aniline?
The InChIKey is VLUQHVNLXBAREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c11-10(12,13)7-2-3-9(8(14)6-7)16-5-1-4-15-16/h1-6H,14H2.
What are the key properties of 2-pyrazol-1-yl-5-(trifluoromethyl)aniline?
2-pyrazol-1-yl-5-(trifluoromethyl)aniline has a molecular weight of 227.19 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 7064033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).