[(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine

C14H19BrN4O — CID 105307040

IUPAC[(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
SMILESCCCn1nccc1C(NN)c1cc(OC)ccc1Br
InChIInChI=1S/C14H19BrN4O/c1-3-8-19-13(6-7-17-19)14(18-16)11-9-10(20-2)4-5-12(11)15/h4-7,9,14,18H,3,8,16H2,1-2H3
InChIKeyNYQQPBOPDNGVDB-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.62
Rot. Bonds6

About [(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine

[(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine (PubChem CID 105307040) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is [(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
PubChem CID105307040
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC Name[(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
SMILESCCCn1nccc1C(NN)c1cc(OC)ccc1Br
InChIInChI=1S/C14H19BrN4O/c1-3-8-19-13(6-7-17-19)14(18-16)11-9-10(20-2)4-5-12(11)15/h4-7,9,14,18H,3,8,16H2,1-2H3
InChIKeyNYQQPBOPDNGVDB-UHFFFAOYSA-N
XLogP2.62
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.62
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

[(2,5-dimethoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306911
(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 105148079
[(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306921
[(5-chloro-2-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105307007
1-(2,5-dibromophenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857773
N-[(2-bromo-5-methoxyphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105182104
[(2-bromo-5-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289879
2-[hydrazinyl-(2-propylpyrazol-3-yl)methyl]aniline
CID 105223752
[(6-methoxypyrimidin-4-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 102953226
N-[(2-bromo-5-fluorophenyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857698
(2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine
CID 105148609
(3-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 63974663

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine?
The IUPAC name of [(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine (CID 105307040) is [(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine?
The canonical SMILES for [(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine is CCCn1nccc1C(NN)c1cc(OC)ccc1Br.
What is the InChIKey of [(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine?
The InChIKey is NYQQPBOPDNGVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-3-8-19-13(6-7-17-19)14(18-16)11-9-10(20-2)4-5-12(11)15/h4-7,9,14,18H,3,8,16H2,1-2H3.
What are the key properties of [(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine?
[(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine has a molecular weight of 339.24 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 105307040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).