[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]diazene

C6H7F3N4 — CID 123741441

IUPAC[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]diazene
SMILES[H]/N=N/c1c(C(F)(F)F)c(C)nn1C
InChIInChI=1S/C6H7F3N4/c1-3-4(6(7,8)9)5(11-10)13(2)12-3/h10H,1-2H3/b11-10+
InChIKeyKGRHZRRXBIIWMA-ZHACJKMWSA-N
MW192.14 g/mol
LogP2.41
Rot. Bonds1

About [1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]diazene

[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]diazene (PubChem CID 123741441) has the molecular formula C6H7F3N4 and a molecular weight of 192.14 g/mol. Its IUPAC name is [1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]diazene.

Molecular Properties

Compound Name[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]diazene
PubChem CID123741441
Molecular FormulaC6H7F3N4
Molecular Weight192.14 g/mol
Exact Mass192.06
IUPAC Name[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]diazene
SMILES[H]/N=N/c1c(C(F)(F)F)c(C)nn1C
InChIInChI=1S/C6H7F3N4/c1-3-4(6(7,8)9)5(11-10)13(2)12-3/h10H,1-2H3/b11-10+
InChIKeyKGRHZRRXBIIWMA-ZHACJKMWSA-N
XLogP2.41
TPSA54.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 52.41
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'}

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Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]diazene?
The IUPAC name of [1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]diazene (CID 123741441) is [1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]diazene.
What is the SMILES notation for [1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]diazene?
The canonical SMILES for [1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]diazene is [H]/N=N/c1c(C(F)(F)F)c(C)nn1C.
What is the InChIKey of [1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]diazene?
The InChIKey is KGRHZRRXBIIWMA-ZHACJKMWSA-N. The full InChI is InChI=1S/C6H7F3N4/c1-3-4(6(7,8)9)5(11-10)13(2)12-3/h10H,1-2H3/b11-10+.
What are the key properties of [1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]diazene?
[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]diazene has a molecular weight of 192.14 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]diazene is sourced from PubChem (CID 123741441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).