[(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine

C12H14ClFN4O — CID 105252513

IUPAC[(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine
SMILESCOc1cccc(F)c1C(NN)c1c(Cl)cnn1C
InChIInChI=1S/C12H14ClFN4O/c1-18-12(7(13)6-16-18)11(17-15)10-8(14)4-3-5-9(10)19-2/h3-6,11,17H,15H2,1-2H3
InChIKeyIOJCJDWPGBOVAG-UHFFFAOYSA-N
MW284.72 g/mol
LogP1.77
Rot. Bonds4

About [(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine

[(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine (PubChem CID 105252513) has the molecular formula C12H14ClFN4O and a molecular weight of 284.72 g/mol. Its IUPAC name is [(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine
PubChem CID105252513
Molecular FormulaC12H14ClFN4O
Molecular Weight284.72 g/mol
Exact Mass284.08
IUPAC Name[(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine
SMILESCOc1cccc(F)c1C(NN)c1c(Cl)cnn1C
InChIInChI=1S/C12H14ClFN4O/c1-18-12(7(13)6-16-18)11(17-15)10-8(14)4-3-5-9(10)19-2/h3-6,11,17H,15H2,1-2H3
InChIKeyIOJCJDWPGBOVAG-UHFFFAOYSA-N
XLogP1.77
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 ≤ 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

[(2,6-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339134
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 114658510
[(4-chloro-1-methylpyrazol-5-yl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105216647
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]ethanamine
CID 114658521
[(4-chloro-1-methylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191750
[(4-chloro-1-methylpyrazol-5-yl)-(2-ethoxyphenyl)methyl]hydrazine
CID 105260785
[(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105280354
[(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339123
[(2-chloro-6-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329251
[(5-chlorofuran-2-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]hydrazine
CID 106694761
[(4-ethylphenyl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine
CID 105252548
[(2-fluoro-6-methoxyphenyl)-(5-methoxy-3-pyridinyl)methyl]hydrazine
CID 105252584

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine (CID 105252513) is [(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine is COc1cccc(F)c1C(NN)c1c(Cl)cnn1C.
What is the InChIKey of [(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine?
The InChIKey is IOJCJDWPGBOVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN4O/c1-18-12(7(13)6-16-18)11(17-15)10-8(14)4-3-5-9(10)19-2/h3-6,11,17H,15H2,1-2H3.
What are the key properties of [(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine?
[(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine has a molecular weight of 284.72 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-methylpyrazol-5-yl)-(2-fluoro-6-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105252513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).