3-(trifluoromethyl)pyrazole-1-carboximidamide

C5H5F3N4 — CID 175197891

IUPAC3-(trifluoromethyl)pyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N4/c6-5(7,8)3-1-2-12(11-3)4(9)10/h1-2H,(H3,9,10)
InChIKeyUBXBTFXLNVXMKL-UHFFFAOYSA-N
MW178.12 g/mol
LogP0.64
Rot. Bonds

About 3-(trifluoromethyl)pyrazole-1-carboximidamide

3-(trifluoromethyl)pyrazole-1-carboximidamide (PubChem CID 175197891) has the molecular formula C5H5F3N4 and a molecular weight of 178.12 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrazole-1-carboximidamide.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrazole-1-carboximidamide
PubChem CID175197891
Molecular FormulaC5H5F3N4
Molecular Weight178.12 g/mol
Exact Mass178.05
IUPAC Name3-(trifluoromethyl)pyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N4/c6-5(7,8)3-1-2-12(11-3)4(9)10/h1-2H,(H3,9,10)
InChIKeyUBXBTFXLNVXMKL-UHFFFAOYSA-N
XLogP0.64
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.12
LogP ≤ 50.64
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyrazole-1-carboximidamide?
The IUPAC name of 3-(trifluoromethyl)pyrazole-1-carboximidamide (CID 175197891) is 3-(trifluoromethyl)pyrazole-1-carboximidamide.
What is the SMILES notation for 3-(trifluoromethyl)pyrazole-1-carboximidamide?
The canonical SMILES for 3-(trifluoromethyl)pyrazole-1-carboximidamide is [H]/N=C(\N)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 3-(trifluoromethyl)pyrazole-1-carboximidamide?
The InChIKey is UBXBTFXLNVXMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4/c6-5(7,8)3-1-2-12(11-3)4(9)10/h1-2H,(H3,9,10).
What are the key properties of 3-(trifluoromethyl)pyrazole-1-carboximidamide?
3-(trifluoromethyl)pyrazole-1-carboximidamide has a molecular weight of 178.12 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyrazole-1-carboximidamide is sourced from PubChem (CID 175197891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).