[1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine

C13H16F2N4O — CID 105329486

IUPAC[1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCn1ccc(CC(NN)c2cccc(OC(F)F)c2)n1
InChIInChI=1S/C13H16F2N4O/c1-19-6-5-10(18-19)8-12(17-16)9-3-2-4-11(7-9)20-13(14)15/h2-7,12-13,17H,8,16H2,1H3
InChIKeyJNMZDXMAATWKPG-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.77
Rot. Bonds6

About [1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine

[1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105329486) has the molecular formula C13H16F2N4O and a molecular weight of 282.29 g/mol. Its IUPAC name is [1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105329486
Molecular FormulaC13H16F2N4O
Molecular Weight282.29 g/mol
Exact Mass282.13
IUPAC Name[1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCn1ccc(CC(NN)c2cccc(OC(F)F)c2)n1
InChIInChI=1S/C13H16F2N4O/c1-19-6-5-10(18-19)8-12(17-16)9-3-2-4-11(7-9)20-13(14)15/h2-7,12-13,17H,8,16H2,1H3
InChIKeyJNMZDXMAATWKPG-UHFFFAOYSA-N
XLogP1.77
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.77
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

[2-(1-methylpyrazol-3-yl)-1-phenylethyl]hydrazine
CID 105199243
[1-[3-(difluoromethoxy)phenyl]-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066949
2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 82869084
[1-(2,6-dimethyl-4-pyridinyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 107504950
1-(3-ethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876306
[1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105291323
[1-(4-chloro-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329500
[1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329446
[1-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105205197
3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452126
[(1-methylpyrazol-3-yl)-(3-propan-2-yloxyphenyl)methyl]hydrazine
CID 105228760
[1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine
CID 112754856

Frequently Asked Questions

What is the IUPAC name of [1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine (CID 105329486) is [1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine is Cn1ccc(CC(NN)c2cccc(OC(F)F)c2)n1.
What is the InChIKey of [1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is JNMZDXMAATWKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O/c1-19-6-5-10(18-19)8-12(17-16)9-3-2-4-11(7-9)20-13(14)15/h2-7,12-13,17H,8,16H2,1H3.
What are the key properties of [1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine?
[1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 282.29 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105329486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).