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

C13H15Br2ClN4 — CID 114019567

IUPAC[(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H15Br2ClN4/c1-2-3-20-13(11(15)7-18-20)12(19-17)8-4-9(14)6-10(16)5-8/h4-7,12,19H,2-3,17H2,1H3
InChIKeyNSJODVAZSSEXOP-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.02
Rot. Bonds5

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

[(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine (PubChem CID 114019567) has the molecular formula C13H15Br2ClN4 and a molecular weight of 422.55 g/mol. Its IUPAC name is [(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine
PubChem CID114019567
Molecular FormulaC13H15Br2ClN4
Molecular Weight422.55 g/mol
Exact Mass419.94
IUPAC Name[(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H15Br2ClN4/c1-2-3-20-13(11(15)7-18-20)12(19-17)8-4-9(14)6-10(16)5-8/h4-7,12,19H,2-3,17H2,1H3
InChIKeyNSJODVAZSSEXOP-UHFFFAOYSA-N
XLogP4.02
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.02
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

N-[(4-bromo-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 105041382
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107977501
[(3-bromo-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105238587
[(4-bromo-1-propylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105336612
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-5-methylphenyl)methyl]hydrazine
CID 105337269
[(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 105336644
[(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine
CID 106694739
[(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 105201663
[(4-bromo-1-propylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]hydrazine
CID 105336638
[(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105260924
[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine
CID 103408784
[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine
CID 105223487

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine (CID 114019567) is [(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine is CCCn1ncc(Br)c1C(NN)c1cc(Cl)cc(Br)c1.
What is the InChIKey of [(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is NSJODVAZSSEXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2ClN4/c1-2-3-20-13(11(15)7-18-20)12(19-17)8-4-9(14)6-10(16)5-8/h4-7,12,19H,2-3,17H2,1H3.
What are the key properties of [(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine?
[(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 422.55 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 114019567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).