[(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine

C13H15Cl2FN4 — CID 105336821

IUPAC[(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(NN)c1cccc(F)c1Cl
InChIInChI=1S/C13H15Cl2FN4/c1-7(2)20-13(9(14)6-18-20)12(19-17)8-4-3-5-10(16)11(8)15/h3-7,12,19H,17H2,1-2H3
InChIKeyWXTRBWUZNYQKPB-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.46
Rot. Bonds4

About [(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine

[(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105336821) has the molecular formula C13H15Cl2FN4 and a molecular weight of 317.20 g/mol. Its IUPAC name is [(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
PubChem CID105336821
Molecular FormulaC13H15Cl2FN4
Molecular Weight317.20 g/mol
Exact Mass316.07
IUPAC Name[(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(NN)c1cccc(F)c1Cl
InChIInChI=1S/C13H15Cl2FN4/c1-7(2)20-13(9(14)6-18-20)12(19-17)8-4-3-5-10(16)11(8)15/h3-7,12,19H,17H2,1-2H3
InChIKeyWXTRBWUZNYQKPB-UHFFFAOYSA-N
XLogP3.46
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.46
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-bromo-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336794
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-iodophenyl)methyl]hydrazine
CID 105336809
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105197225
1-(2-chloro-6-fluorophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 105041930
1-(2-bromo-6-fluorophenyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114887114
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105207979
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105041760
[(4-bromo-2-methylphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336738
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 114658510
(2-chloro-6-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 105041728
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105217795
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine
CID 105337011

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (CID 105336821) is [(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is CC(C)n1ncc(Cl)c1C(NN)c1cccc(F)c1Cl.
What is the InChIKey of [(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is WXTRBWUZNYQKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2FN4/c1-7(2)20-13(9(14)6-18-20)12(19-17)8-4-3-5-10(16)11(8)15/h3-7,12,19H,17H2,1-2H3.
What are the key properties of [(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
[(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 317.20 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-3-fluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105336821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).