[(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine

C13H15F3N4 — CID 114220219

IUPAC[(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCc1cc(C(NN)c2ccc(C(F)(F)F)cc2)nn1C
InChIInChI=1S/C13H15F3N4/c1-8-7-11(19-20(8)2)12(18-17)9-3-5-10(6-4-9)13(14,15)16/h3-7,12,18H,17H2,1-2H3
InChIKeyIFXGTTLFIIFYKS-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.30
Rot. Bonds3

About [(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine

[(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 114220219) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is [(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID114220219
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name[(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCc1cc(C(NN)c2ccc(C(F)(F)F)cc2)nn1C
InChIInChI=1S/C13H15F3N4/c1-8-7-11(19-20(8)2)12(18-17)9-3-5-10(6-4-9)13(14,15)16/h3-7,12,18H,17H2,1-2H3
InChIKeyIFXGTTLFIIFYKS-UHFFFAOYSA-N
XLogP2.30
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.30
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

[[4-(trifluoromethyl)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105302308
1-(1,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114219126
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105300140
[(2-methyl-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 106756526
[(4-chloro-3-methylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105302305
[(2,5-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105292454
[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]hydrazine
CID 102759413
[(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105300373
[(1-propylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105288436
[(2,5-dimethylpyrazol-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292483
[(1-propylimidazol-2-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105307552
[(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301348

Frequently Asked Questions

What is the IUPAC name of [(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine (CID 114220219) is [(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine is Cc1cc(C(NN)c2ccc(C(F)(F)F)cc2)nn1C.
What is the InChIKey of [(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is IFXGTTLFIIFYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-8-7-11(19-20(8)2)12(18-17)9-3-5-10(6-4-9)13(14,15)16/h3-7,12,18H,17H2,1-2H3.
What are the key properties of [(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine?
[(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 284.29 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,5-dimethylpyrazol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 114220219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).