[(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine

C13H14F4N4 — CID 105250266

IUPAC[(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCCn1nccc1C(NN)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H14F4N4/c1-2-21-11(5-6-19-21)12(20-18)9-7-8(13(15,16)17)3-4-10(9)14/h3-7,12,20H,2,18H2,1H3
InChIKeyCJSKEYMJJPIANH-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.61
Rot. Bonds4

About [(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine

[(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 105250266) has the molecular formula C13H14F4N4 and a molecular weight of 302.28 g/mol. Its IUPAC name is [(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID105250266
Molecular FormulaC13H14F4N4
Molecular Weight302.28 g/mol
Exact Mass302.12
IUPAC Name[(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCCn1nccc1C(NN)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H14F4N4/c1-2-21-11(5-6-19-21)12(20-18)9-7-8(13(15,16)17)3-4-10(9)14/h3-7,12,20H,2,18H2,1H3
InChIKeyCJSKEYMJJPIANH-UHFFFAOYSA-N
XLogP2.61
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105307338
[(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105246676
[(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250271
[(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105307110
[(4-fluorophenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250257
[[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine
CID 105250289
[(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 106859925
1-(2-ethylpyrazol-3-yl)-N-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105148286
1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine
CID 105250213
[[2-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105250235
[1-benzofuran-3-yl-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105262483
[[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842935

Frequently Asked Questions

What is the IUPAC name of [(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine (CID 105250266) is [(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine is CCn1nccc1C(NN)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of [(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is CJSKEYMJJPIANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N4/c1-2-21-11(5-6-19-21)12(20-18)9-7-8(13(15,16)17)3-4-10(9)14/h3-7,12,20H,2,18H2,1H3.
What are the key properties of [(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine?
[(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 302.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 105250266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).