5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine

C5H6F3N5 — CID 174486130

IUPAC5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1/N=N/C(F)(F)F
InChIInChI=1S/C5H6F3N5/c1-2-3(4(9)12-10-2)11-13-5(6,7)8/h1H3,(H3,9,10,12)/b13-11+
InChIKeyXXLOCOQABXNCLK-ACCUITESSA-N
MW193.13 g/mol
LogP1.90
Rot. Bonds1

About 5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine

5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine (PubChem CID 174486130) has the molecular formula C5H6F3N5 and a molecular weight of 193.13 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine
PubChem CID174486130
Molecular FormulaC5H6F3N5
Molecular Weight193.13 g/mol
Exact Mass193.06
IUPAC Name5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1/N=N/C(F)(F)F
InChIInChI=1S/C5H6F3N5/c1-2-3(4(9)12-10-2)11-13-5(6,7)8/h1H3,(H3,9,10,12)/b13-11+
InChIKeyXXLOCOQABXNCLK-ACCUITESSA-N
XLogP1.90
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine (CID 174486130) is 5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1/N=N/C(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine?
The InChIKey is XXLOCOQABXNCLK-ACCUITESSA-N. The full InChI is InChI=1S/C5H6F3N5/c1-2-3(4(9)12-10-2)11-13-5(6,7)8/h1H3,(H3,9,10,12)/b13-11+.
What are the key properties of 5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine?
5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine has a molecular weight of 193.13 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trifluoromethyldiazenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 174486130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).