[(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine

C13H15BrN4O — CID 105342182

IUPAC[(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
SMILESCn1ncc(Br)c1C(NN)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H15BrN4O/c1-18-13(10(14)7-16-18)12(17-15)9-2-3-11-8(6-9)4-5-19-11/h2-3,6-7,12,17H,4-5,15H2,1H3
InChIKeyCYWKFOILMQFMEU-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.67
Rot. Bonds3

About [(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine

[(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine (PubChem CID 105342182) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is [(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
PubChem CID105342182
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name[(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
SMILESCn1ncc(Br)c1C(NN)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H15BrN4O/c1-18-13(10(14)7-16-18)12(17-15)9-2-3-11-8(6-9)4-5-19-11/h2-3,6-7,12,17H,4-5,15H2,1H3
InChIKeyCYWKFOILMQFMEU-UHFFFAOYSA-N
XLogP1.67
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.67
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

[(5-bromo-3-methyltriazol-4-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 106466707
[(4-bromo-1-methylpyrazol-5-yl)-(4-bromophenyl)methyl]hydrazine
CID 105192475
[(4-bromo-1-methylpyrazol-5-yl)-naphthalen-2-ylmethyl]hydrazine
CID 105213396
[(4-bromo-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204136
[(2,4-dibromophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 107948484
[(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105342188
[(6-chloro-3-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105253191
[2,3-dihydro-1-benzofuran-5-yl-(2,4,5-trimethylfuran-3-yl)methyl]hydrazine
CID 105333839
[(2-bromo-6-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine
CID 105280541
[(4-bromo-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105342125
[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-5-yl)methyl]hydrazine
CID 105253927
[(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208166

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine (CID 105342182) is [(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine is Cn1ncc(Br)c1C(NN)c1ccc2c(c1)CCO2.
What is the InChIKey of [(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine?
The InChIKey is CYWKFOILMQFMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-18-13(10(14)7-16-18)12(17-15)9-2-3-11-8(6-9)4-5-19-11/h2-3,6-7,12,17H,4-5,15H2,1H3.
What are the key properties of [(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine?
[(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine has a molecular weight of 323.19 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-5-yl)methyl]hydrazine is sourced from PubChem (CID 105342182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).