1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidamide;hydrochloride

C6H8ClF3N4 — CID 75422064

IUPAC1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C6H7F3N4.ClH/c7-6(8,9)3-13-2-4(1-12-13)5(10)11;/h1-2H,3H2,(H3,10,11);1H
InChIKeyZWKXRFSYUDWPKO-UHFFFAOYSA-N
MW228.61 g/mol
LogP1.15
Rot. Bonds2

About 1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidamide;hydrochloride

1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidamide;hydrochloride (PubChem CID 75422064) has the molecular formula C6H8ClF3N4 and a molecular weight of 228.61 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidamide;hydrochloride.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidamide;hydrochloride
PubChem CID75422064
Molecular FormulaC6H8ClF3N4
Molecular Weight228.61 g/mol
Exact Mass228.04
IUPAC Name1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C6H7F3N4.ClH/c7-6(8,9)3-13-2-4(1-12-13)5(10)11;/h1-2H,3H2,(H3,10,11);1H
InChIKeyZWKXRFSYUDWPKO-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 ≤ 500228.61
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'}

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Related Compounds

lithium 1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylate
CID 171808216
1-[1-(2-fluoro-2-methylpropyl)pyrazol-4-yl]ethanone
CID 84659607
1-phenylpyrazole-4-carboximidamide
CID 43140235
4-(bromomethyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 121207449
1-(2,2-difluoropropyl)pyrazole-4-carboxylic acid
CID 84662382
4-amino-3-[3-[(4-fluoro-4-methylcyclohexyl)methylamino]-4-[1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidoyl]phenyl]pent-3-en-2-one
CID 160945827
1-(2,2,3,3-tetrafluoropropyl)pyrazol-4-amine
CID 19622841
3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-5-(trifluoromethyl)aniline
CID 171394091
4-[3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3-oxopropyl]benzenecarboximidamide
CID 58192563
2-(1-ethylpyrazol-4-yl)oxypyridine-4-carboximidamide
CID 116801525
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120712223
[2-fluoro-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanol
CID 164885241

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidamide;hydrochloride?
The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidamide;hydrochloride (CID 75422064) is 1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidamide;hydrochloride.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidamide;hydrochloride?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cnn(CC(F)(F)F)c1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidamide;hydrochloride?
The InChIKey is ZWKXRFSYUDWPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4.ClH/c7-6(8,9)3-13-2-4(1-12-13)5(10)11;/h1-2H,3H2,(H3,10,11);1H.
What are the key properties of 1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidamide;hydrochloride?
1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidamide;hydrochloride has a molecular weight of 228.61 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 1-(2,2,2-trifluoroethyl)pyrazole-4-carboximidamide;hydrochloride is sourced from PubChem (CID 75422064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).