[(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine

C12H14BrClN4O — CID 105339123

IUPAC[(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
SMILESCOc1cnn(C)c1C(NN)c1cccc(Br)c1Cl
InChIInChI=1S/C12H14BrClN4O/c1-18-12(9(19-2)6-16-18)11(17-15)7-4-3-5-8(13)10(7)14/h3-6,11,17H,15H2,1-2H3
InChIKeyICZPJPHBJODHPK-UHFFFAOYSA-N
MW345.63 g/mol
LogP2.40
Rot. Bonds4

About [(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine

[(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105339123) has the molecular formula C12H14BrClN4O and a molecular weight of 345.63 g/mol. Its IUPAC name is [(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
PubChem CID105339123
Molecular FormulaC12H14BrClN4O
Molecular Weight345.63 g/mol
Exact Mass344.00
IUPAC Name[(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
SMILESCOc1cnn(C)c1C(NN)c1cccc(Br)c1Cl
InChIInChI=1S/C12H14BrClN4O/c1-18-12(9(19-2)6-16-18)11(17-15)7-4-3-5-8(13)10(7)14/h3-6,11,17H,15H2,1-2H3
InChIKeyICZPJPHBJODHPK-UHFFFAOYSA-N
XLogP2.40
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.63
LogP ≤ 52.40
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

[(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105339857
[(2,6-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339134
[(3-bromo-2-chlorophenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105285757
[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339114
[(6-chloro-3-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105253115
[(2,3-dichlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339380
[(3-bromo-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105339867
(2,3-dichlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047303
N-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105046639
1-(3-chloro-2-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 107103127
1-(4-methoxy-1-methylpyrazol-5-yl)ethylhydrazine
CID 105201324
[(3-ethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105192015

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine (CID 105339123) is [(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine is COc1cnn(C)c1C(NN)c1cccc(Br)c1Cl.
What is the InChIKey of [(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is ICZPJPHBJODHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN4O/c1-18-12(9(19-2)6-16-18)11(17-15)7-4-3-5-8(13)10(7)14/h3-6,11,17H,15H2,1-2H3.
What are the key properties of [(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine?
[(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 345.63 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105339123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).