2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide

C7H9F3N4 — CID 121211698

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide
SMILES[H]/N=C(\N)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C7H9F3N4/c1-4-2-5(7(8,9)10)13-14(4)3-6(11)12/h2H,3H2,1H3,(H3,11,12)
InChIKeyCRPANAUEMVVXOE-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.15
Rot. Bonds2

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide (PubChem CID 121211698) has the molecular formula C7H9F3N4 and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide
PubChem CID121211698
Molecular FormulaC7H9F3N4
Molecular Weight206.17 g/mol
Exact Mass206.08
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide
SMILES[H]/N=C(\N)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C7H9F3N4/c1-4-2-5(7(8,9)10)13-14(4)3-6(11)12/h2H,3H2,1H3,(H3,11,12)
InChIKeyCRPANAUEMVVXOE-UHFFFAOYSA-N
XLogP1.15
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide (CID 121211698) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide is [H]/N=C(\N)Cn1nc(C(F)(F)F)cc1C.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide?
The InChIKey is CRPANAUEMVVXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4/c1-4-2-5(7(8,9)10)13-14(4)3-6(11)12/h2H,3H2,1H3,(H3,11,12).
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide has a molecular weight of 206.17 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanimidamide is sourced from PubChem (CID 121211698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).