1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine

C7H10F3N5 — CID 163864599

IUPAC1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine
SMILESC/N=N/Nc1c(C(F)(F)F)c(C)nn1C
InChIInChI=1S/C7H10F3N5/c1-4-5(7(8,9)10)6(12-14-11-2)15(3)13-4/h1-3H3,(H,11,12)
InChIKeyHZTMBUTWWUPOFH-UHFFFAOYSA-N
MW221.19 g/mol
LogP2.16
Rot. Bonds2

About 1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine

1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine (PubChem CID 163864599) has the molecular formula C7H10F3N5 and a molecular weight of 221.19 g/mol. Its IUPAC name is 1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine
PubChem CID163864599
Molecular FormulaC7H10F3N5
Molecular Weight221.19 g/mol
Exact Mass221.09
IUPAC Name1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine
SMILESC/N=N/Nc1c(C(F)(F)F)c(C)nn1C
InChIInChI=1S/C7H10F3N5/c1-4-5(7(8,9)10)6(12-14-11-2)15(3)13-4/h1-3H3,(H,11,12)
InChIKeyHZTMBUTWWUPOFH-UHFFFAOYSA-N
XLogP2.16
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 219870
2,4,5-trimethyl-2,3-dihydro-1H-pyrazol-3-imine
CID 4737030
1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 19623303
3-amino-1,5-dimethyl-1H-pyrazole-4-carbonitrile
CID 22222305
1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 33783361
3-(difluoromethyl)-4-fluoro-1-methyl-1H-pyrazol-5-amine
CID 149745032
4-chloro-3-(difluoromethyl)-1-methyl-1H-pyrazol-5-amine
CID 151231044
4-ethyl-1,3-dimethyl-1H-pyrazol-5-amine
CID 6484241
5-Amino-1-methylpyrazole-3,4-dicarbonitrile
CID 21724028
5-(2,2-dimethylhydrazinyl)-1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole
CID 536804
5-hydrazinyl-1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 63758871
5-Amino-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 18993710

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine (CID 163864599) is 1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine is C/N=N/Nc1c(C(F)(F)F)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is HZTMBUTWWUPOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5/c1-4-5(7(8,9)10)6(12-14-11-2)15(3)13-4/h1-3H3,(H,11,12).
What are the key properties of 1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine?
1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 221.19 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(methyldiazenyl)-4-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 163864599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).