[(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine

C11H14BrClN4O — CID 106694739

IUPAC[(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)c1ccoc1Cl
InChIInChI=1S/C11H14BrClN4O/c1-2-4-17-10(8(12)6-15-17)9(16-14)7-3-5-18-11(7)13/h3,5-6,9,16H,2,4,14H2,1H3
InChIKeyHLDIJLOMDWJPPS-UHFFFAOYSA-N
MW333.62 g/mol
LogP2.85
Rot. Bonds5

About [(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine

[(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine (PubChem CID 106694739) has the molecular formula C11H14BrClN4O and a molecular weight of 333.62 g/mol. Its IUPAC name is [(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine
PubChem CID106694739
Molecular FormulaC11H14BrClN4O
Molecular Weight333.62 g/mol
Exact Mass332.00
IUPAC Name[(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)c1ccoc1Cl
InChIInChI=1S/C11H14BrClN4O/c1-2-4-17-10(8(12)6-15-17)9(16-14)7-3-5-18-11(7)13/h3,5-6,9,16H,2,4,14H2,1H3
InChIKeyHLDIJLOMDWJPPS-UHFFFAOYSA-N
XLogP2.85
TPSA69.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.62
LogP ≤ 52.85
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

[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-fluorophenyl)methyl]hydrazine
CID 105223487
[(4-bromo-1-propylpyrazol-5-yl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 105336644
[(4-bromo-1-propylpyrazol-5-yl)-(5-ethylfuran-2-yl)methyl]hydrazine
CID 105336675
[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine
CID 103408784
[(4-bromo-1-propylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105336612
[(3-bromo-5-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methyl]hydrazine
CID 114019567
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703
[(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
N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 105041314
N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 114886433
[(2-bromo-5-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337238

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine (CID 106694739) is [(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine is CCCn1ncc(Br)c1C(NN)c1ccoc1Cl.
What is the InChIKey of [(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine?
The InChIKey is HLDIJLOMDWJPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN4O/c1-2-4-17-10(8(12)6-15-17)9(16-14)7-3-5-18-11(7)13/h3,5-6,9,16H,2,4,14H2,1H3.
What are the key properties of [(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine?
[(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine has a molecular weight of 333.62 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine is sourced from PubChem (CID 106694739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).