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

C12H14ClFN4 — CID 105307110

IUPAC[(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
SMILESCCn1nccc1C(NN)c1c(F)cccc1Cl
InChIInChI=1S/C12H14ClFN4/c1-2-18-10(6-7-16-18)12(17-15)11-8(13)4-3-5-9(11)14/h3-7,12,17H,2,15H2,1H3
InChIKeyGAJVSPYUXSFUQX-UHFFFAOYSA-N
MW268.72 g/mol
LogP2.25
Rot. Bonds4

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

[(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine (PubChem CID 105307110) has the molecular formula C12H14ClFN4 and a molecular weight of 268.72 g/mol. Its IUPAC name is [(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
PubChem CID105307110
Molecular FormulaC12H14ClFN4
Molecular Weight268.72 g/mol
Exact Mass268.09
IUPAC Name[(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
SMILESCCn1nccc1C(NN)c1c(F)cccc1Cl
InChIInChI=1S/C12H14ClFN4/c1-2-18-10(6-7-16-18)12(17-15)11-8(13)4-3-5-9(11)14/h3-7,12,17H,2,15H2,1H3
InChIKeyGAJVSPYUXSFUQX-UHFFFAOYSA-N
XLogP2.25
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 52.25
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

[(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105246676
(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 79522981
N-[(2,6-dichlorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 115857934
[(2-chloro-6-fluorophenyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308170
[(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105307338
[(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250266
[(1,3-diethylpyrazol-5-yl)-(2,6-difluorophenyl)methyl]hydrazine
CID 105308082
[(2-ethylpyrazol-3-yl)-(5-methylpyrimidin-2-yl)methyl]hydrazine
CID 105261579
[(2-chloro-6-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105288642
[(2-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 106859925
N-[(3-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 64713123
[(2-chloro-6-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140976

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine?
The IUPAC name of [(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine (CID 105307110) is [(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine is CCn1nccc1C(NN)c1c(F)cccc1Cl.
What is the InChIKey of [(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine?
The InChIKey is GAJVSPYUXSFUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN4/c1-2-18-10(6-7-16-18)12(17-15)11-8(13)4-3-5-9(11)14/h3-7,12,17H,2,15H2,1H3.
What are the key properties of [(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine?
[(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine has a molecular weight of 268.72 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-6-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 105307110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).