[(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine

C11H12ClFN4 — CID 103140976

IUPAC[(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
SMILESCn1ccc(C(NN)c2c(F)cccc2Cl)n1
InChIInChI=1S/C11H12ClFN4/c1-17-6-5-9(16-17)11(15-14)10-7(12)3-2-4-8(10)13/h2-6,11,15H,14H2,1H3
InChIKeyHVIPRJFDOOVNHW-UHFFFAOYSA-N
MW254.70 g/mol
LogP1.77
Rot. Bonds3

About [(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine

[(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine (PubChem CID 103140976) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is [(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
PubChem CID103140976
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name[(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
SMILESCn1ccc(C(NN)c2c(F)cccc2Cl)n1
InChIInChI=1S/C11H12ClFN4/c1-17-6-5-9(16-17)11(15-14)10-7(12)3-2-4-8(10)13/h2-6,11,15H,14H2,1H3
InChIKeyHVIPRJFDOOVNHW-UHFFFAOYSA-N
XLogP1.77
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 51.77
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

[(2-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103141046
[(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228669
[(3-chloro-2-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 107103871
[(2-chloro-6-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105288642
[(2-chloro-6-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308170
[(2-chloro-3-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140793
[(2-chloro-6-fluorophenyl)-pyrimidin-5-ylmethyl]hydrazine
CID 105292049
[(2,4-difluoro-5-methylphenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103141162
[(2-chlorophenyl)-(2,6-difluorophenyl)methyl]hydrazine
CID 105210999
1-(2-chloro-6-fluorophenyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025688
[(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105307110
[(2-chloro-6-fluorophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313153

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine?
The IUPAC name of [(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine (CID 103140976) is [(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine is Cn1ccc(C(NN)c2c(F)cccc2Cl)n1.
What is the InChIKey of [(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine?
The InChIKey is HVIPRJFDOOVNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c1-17-6-5-9(16-17)11(15-14)10-7(12)3-2-4-8(10)13/h2-6,11,15H,14H2,1H3.
What are the key properties of [(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine?
[(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine has a molecular weight of 254.70 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 103140976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).