N-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride

C7H7ClF3N3 — CID 76596729

IUPACN-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride
SMILESCCn1nccc1N=C(Cl)C(F)(F)F
InChIInChI=1S/C7H7ClF3N3/c1-2-14-5(3-4-12-14)13-6(8)7(9,10)11/h3-4H,2H2,1H3
InChIKeyAUZVTYUHKWUKTF-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.73
Rot. Bonds2

About N-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride

N-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride (PubChem CID 76596729) has the molecular formula C7H7ClF3N3 and a molecular weight of 225.60 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride
PubChem CID76596729
Molecular FormulaC7H7ClF3N3
Molecular Weight225.60 g/mol
Exact Mass225.03
IUPAC NameN-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride
SMILESCCn1nccc1N=C(Cl)C(F)(F)F
InChIInChI=1S/C7H7ClF3N3/c1-2-14-5(3-4-12-14)13-6(8)7(9,10)11/h3-4H,2H2,1H3
InChIKeyAUZVTYUHKWUKTF-UHFFFAOYSA-N
XLogP2.73
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride?
The IUPAC name of N-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride (CID 76596729) is N-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride is CCn1nccc1N=C(Cl)C(F)(F)F.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride?
The InChIKey is AUZVTYUHKWUKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3/c1-2-14-5(3-4-12-14)13-6(8)7(9,10)11/h3-4H,2H2,1H3.
What are the key properties of N-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride?
N-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride has a molecular weight of 225.60 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethanimidoyl chloride is sourced from PubChem (CID 76596729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).