[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine

C13H15F3N4O — CID 105301447

IUPAC[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
SMILESCc1cc(C(NN)c2ccccc2OC(F)(F)F)n(C)n1
InChIInChI=1S/C13H15F3N4O/c1-8-7-10(20(2)19-8)12(18-17)9-5-3-4-6-11(9)21-13(14,15)16/h3-7,12,18H,17H2,1-2H3
InChIKeyDYSZYFWBFXKASB-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.18
Rot. Bonds4

About [(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine

[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine (PubChem CID 105301447) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is [(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
PubChem CID105301447
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
SMILESCc1cc(C(NN)c2ccccc2OC(F)(F)F)n(C)n1
InChIInChI=1S/C13H15F3N4O/c1-8-7-10(20(2)19-8)12(18-17)9-5-3-4-6-11(9)21-13(14,15)16/h3-7,12,18H,17H2,1-2H3
InChIKeyDYSZYFWBFXKASB-UHFFFAOYSA-N
XLogP2.18
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[(2,5-dimethylpyrazol-3-yl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093278
[(2,5-dimethylfuran-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
CID 105301429
[(2,5-dimethylpyrazol-3-yl)-quinolin-5-ylmethyl]hydrazine
CID 105326968
(2-ethyl-5-methylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanol
CID 105092804
[(2,5-dimethylpyrazol-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292483
[(3-methoxythiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
CID 105301473
[(2,5-dimethylpyrazol-3-yl)-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105325339
[1H-1,2,4-triazol-5-yl-[2-(trifluoromethoxy)phenyl]methyl]hydrazine
CID 105230561
N-[(2,5-dimethylpyrazol-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176495
[1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105313929
N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 105141538
N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105099548

Frequently Asked Questions

What is the IUPAC name of [(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine?
The IUPAC name of [(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine (CID 105301447) is [(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine.
What is the SMILES notation for [(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine?
The canonical SMILES for [(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine is Cc1cc(C(NN)c2ccccc2OC(F)(F)F)n(C)n1.
What is the InChIKey of [(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine?
The InChIKey is DYSZYFWBFXKASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-8-7-10(20(2)19-8)12(18-17)9-5-3-4-6-11(9)21-13(14,15)16/h3-7,12,18H,17H2,1-2H3.
What are the key properties of [(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine?
[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine has a molecular weight of 300.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethoxy)phenyl]methyl]hydrazine is sourced from PubChem (CID 105301447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).