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

C13H15F3N4 — CID 105301348

IUPAC[(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCc1c(C(NN)c2cccc(C(F)(F)F)c2)cnn1C
InChIInChI=1S/C13H15F3N4/c1-8-11(7-18-20(8)2)12(19-17)9-4-3-5-10(6-9)13(14,15)16/h3-7,12,19H,17H2,1-2H3
InChIKeyAUNUBXYDRDOBSH-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.30
Rot. Bonds3

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

[(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 105301348) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is [(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID105301348
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name[(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCc1c(C(NN)c2cccc(C(F)(F)F)c2)cnn1C
InChIInChI=1S/C13H15F3N4/c1-8-11(7-18-20(8)2)12(19-17)9-4-3-5-10(6-9)13(14,15)16/h3-7,12,19H,17H2,1-2H3
InChIKeyAUNUBXYDRDOBSH-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

[(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 105301848
[(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193884
[(5-methylpyrazin-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301358
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 79570845
[1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301323
[(1,5-dimethylpyrazol-4-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313281
[(3-chloro-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301346
[(2,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301356
[(2,4-dibromophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107948178
[(2-bromo-3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301331
[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105192836
[(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105267889

Frequently Asked Questions

What is the IUPAC name of [(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of [(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine (CID 105301348) is [(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for [(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for [(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine is Cc1c(C(NN)c2cccc(C(F)(F)F)c2)cnn1C.
What is the InChIKey of [(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is AUNUBXYDRDOBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-8-11(7-18-20(8)2)12(19-17)9-4-3-5-10(6-9)13(14,15)16/h3-7,12,19H,17H2,1-2H3.
What are the key properties of [(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine?
[(1,5-dimethylpyrazol-4-yl)-[3-(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-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 105301348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).