[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-yl]hydrazine

C12H14ClFN4O — CID 55257078

IUPAC[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-yl]hydrazine
SMILESCc1nn(C)c(NN)c1COc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H14ClFN4O/c1-7-9(12(16-15)18(2)17-7)6-19-8-3-4-11(14)10(13)5-8/h3-5,16H,6,15H2,1-2H3
InChIKeyIKDCPMRFWRHMFZ-UHFFFAOYSA-N
MW284.72 g/mol
LogP2.39
Rot. Bonds4

About [4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-yl]hydrazine

[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-yl]hydrazine (PubChem CID 55257078) has the molecular formula C12H14ClFN4O and a molecular weight of 284.72 g/mol. Its IUPAC name is [4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-yl]hydrazine
PubChem CID55257078
Molecular FormulaC12H14ClFN4O
Molecular Weight284.72 g/mol
Exact Mass284.08
IUPAC Name[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-yl]hydrazine
SMILESCc1nn(C)c(NN)c1COc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H14ClFN4O/c1-7-9(12(16-15)18(2)17-7)6-19-8-3-4-11(14)10(13)5-8/h3-5,16H,6,15H2,1-2H3
InChIKeyIKDCPMRFWRHMFZ-UHFFFAOYSA-N
XLogP2.39
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 52.39
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 [4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-yl]hydrazine?
The IUPAC name of [4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-yl]hydrazine (CID 55257078) is [4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-yl]hydrazine.
What is the SMILES notation for [4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-yl]hydrazine?
The canonical SMILES for [4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-yl]hydrazine is Cc1nn(C)c(NN)c1COc1ccc(F)c(Cl)c1.
What is the InChIKey of [4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-yl]hydrazine?
The InChIKey is IKDCPMRFWRHMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN4O/c1-7-9(12(16-15)18(2)17-7)6-19-8-3-4-11(14)10(13)5-8/h3-5,16H,6,15H2,1-2H3.
What are the key properties of [4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-yl]hydrazine?
[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-yl]hydrazine has a molecular weight of 284.72 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-dimethylpyrazol-5-yl]hydrazine is sourced from PubChem (CID 55257078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).