[(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine

C15H17BrN4O — CID 105288494

IUPAC[(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
SMILESCCCn1cc(C(NN)c2cc3cccc(Br)c3o2)cn1
InChIInChI=1S/C15H17BrN4O/c1-2-6-20-9-11(8-18-20)14(19-17)13-7-10-4-3-5-12(16)15(10)21-13/h3-5,7-9,14,19H,2,6,17H2,1H3
InChIKeyQAERSCJXXXQPFW-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.35
Rot. Bonds5

About [(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine

[(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine (PubChem CID 105288494) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is [(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
PubChem CID105288494
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name[(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
SMILESCCCn1cc(C(NN)c2cc3cccc(Br)c3o2)cn1
InChIInChI=1S/C15H17BrN4O/c1-2-6-20-9-11(8-18-20)14(19-17)13-7-10-4-3-5-12(16)15(10)21-13/h3-5,7-9,14,19H,2,6,17H2,1H3
InChIKeyQAERSCJXXXQPFW-UHFFFAOYSA-N
XLogP3.35
TPSA69.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.35
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'}

Analyze [(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 105109370
4-bromo-2-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]aniline
CID 105263459
[(3-methylsulfonylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288442
[(5-bromothiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105222098
[(3-bromo-5-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288475
[(4-methylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105194305
[(1-propylpyrazol-4-yl)-pyridin-4-ylmethyl]hydrazine
CID 105196444
N-[(7-bromo-1-benzofuran-2-yl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105184686
N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 114729058
[(1-propylpyrazol-4-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208089
[(2,5-dimethylphenyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288509
N-[(7-chloro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 114729059

Frequently Asked Questions

What is the IUPAC name of [(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The IUPAC name of [(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine (CID 105288494) is [(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine is CCCn1cc(C(NN)c2cc3cccc(Br)c3o2)cn1.
What is the InChIKey of [(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
The InChIKey is QAERSCJXXXQPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-2-6-20-9-11(8-18-20)14(19-17)13-7-10-4-3-5-12(16)15(10)21-13/h3-5,7-9,14,19H,2,6,17H2,1H3.
What are the key properties of [(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine?
[(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine has a molecular weight of 349.23 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-bromo-1-benzofuran-2-yl)-(1-propylpyrazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105288494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).