[5-(difluoromethoxy)-1-methylpyrazol-3-yl]hydrazine

C5H8F2N4O — CID 15767488

IUPAC[5-(difluoromethoxy)-1-methylpyrazol-3-yl]hydrazine
SMILESCn1nc(NN)cc1OC(F)F
InChIInChI=1S/C5H8F2N4O/c1-11-4(12-5(6)7)2-3(9-8)10-11/h2,5H,8H2,1H3,(H,9,10)
InChIKeyMRWMVBRWJDBLFD-UHFFFAOYSA-N
MW178.14 g/mol
LogP0.31
Rot. Bonds3

About [5-(difluoromethoxy)-1-methylpyrazol-3-yl]hydrazine

[5-(difluoromethoxy)-1-methylpyrazol-3-yl]hydrazine (PubChem CID 15767488) has the molecular formula C5H8F2N4O and a molecular weight of 178.14 g/mol. Its IUPAC name is [5-(difluoromethoxy)-1-methylpyrazol-3-yl]hydrazine.

Molecular Properties

Compound Name[5-(difluoromethoxy)-1-methylpyrazol-3-yl]hydrazine
PubChem CID15767488
Molecular FormulaC5H8F2N4O
Molecular Weight178.14 g/mol
Exact Mass178.07
IUPAC Name[5-(difluoromethoxy)-1-methylpyrazol-3-yl]hydrazine
SMILESCn1nc(NN)cc1OC(F)F
InChIInChI=1S/C5H8F2N4O/c1-11-4(12-5(6)7)2-3(9-8)10-11/h2,5H,8H2,1H3,(H,9,10)
InChIKeyMRWMVBRWJDBLFD-UHFFFAOYSA-N
XLogP0.31
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 50.31
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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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]hydrazine?
The IUPAC name of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]hydrazine (CID 15767488) is [5-(difluoromethoxy)-1-methylpyrazol-3-yl]hydrazine.
What is the SMILES notation for [5-(difluoromethoxy)-1-methylpyrazol-3-yl]hydrazine?
The canonical SMILES for [5-(difluoromethoxy)-1-methylpyrazol-3-yl]hydrazine is Cn1nc(NN)cc1OC(F)F.
What is the InChIKey of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]hydrazine?
The InChIKey is MRWMVBRWJDBLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4O/c1-11-4(12-5(6)7)2-3(9-8)10-11/h2,5H,8H2,1H3,(H,9,10).
What are the key properties of [5-(difluoromethoxy)-1-methylpyrazol-3-yl]hydrazine?
[5-(difluoromethoxy)-1-methylpyrazol-3-yl]hydrazine has a molecular weight of 178.14 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethoxy)-1-methylpyrazol-3-yl]hydrazine is sourced from PubChem (CID 15767488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).