[(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine

C13H15BrCl2N4 — CID 105260924

IUPAC[(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H15BrCl2N4/c1-2-5-20-13(11(16)7-18-20)12(19-17)8-3-4-10(15)9(14)6-8/h3-4,6-7,12,19H,2,5,17H2,1H3
InChIKeyXTCNOJMKAKEQQD-UHFFFAOYSA-N
MW378.10 g/mol
LogP3.92
Rot. Bonds5

About [(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine

[(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105260924) has the molecular formula C13H15BrCl2N4 and a molecular weight of 378.10 g/mol. Its IUPAC name is [(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
PubChem CID105260924
Molecular FormulaC13H15BrCl2N4
Molecular Weight378.10 g/mol
Exact Mass375.99
IUPAC Name[(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H15BrCl2N4/c1-2-5-20-13(11(16)7-18-20)12(19-17)8-3-4-10(15)9(14)6-8/h3-4,6-7,12,19H,2,5,17H2,1H3
InChIKeyXTCNOJMKAKEQQD-UHFFFAOYSA-N
XLogP3.92
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.10
LogP ≤ 53.92
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

[(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337224
[(4-chloro-1-propylpyrazol-5-yl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105194048
[(4-bromo-1-propylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105336612
[(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337238
[(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine
CID 105337137
N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042548
[(3-bromo-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105238587
[(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208071
[(3,4-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105257120
[(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 106860223
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105342343
[(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 105201663

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine (CID 105260924) is [(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine is CCCn1ncc(Cl)c1C(NN)c1ccc(Cl)c(Br)c1.
What is the InChIKey of [(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is XTCNOJMKAKEQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrCl2N4/c1-2-5-20-13(11(16)7-18-20)12(19-17)8-3-4-10(15)9(14)6-8/h3-4,6-7,12,19H,2,5,17H2,1H3.
What are the key properties of [(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine?
[(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 378.10 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105260924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).