[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine

C15H21BrN4O — CID 105337275

IUPAC[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine
SMILESCOCCn1ncc(Br)c1C(NN)c1ccc(C)c(C)c1
InChIInChI=1S/C15H21BrN4O/c1-10-4-5-12(8-11(10)2)14(19-17)15-13(16)9-18-20(15)6-7-21-3/h4-5,8-9,14,19H,6-7,17H2,1-3H3
InChIKeyCFWVWONSGRVEGP-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.46
Rot. Bonds6

About [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine

[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine (PubChem CID 105337275) has the molecular formula C15H21BrN4O and a molecular weight of 353.26 g/mol. Its IUPAC name is [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine
PubChem CID105337275
Molecular FormulaC15H21BrN4O
Molecular Weight353.26 g/mol
Exact Mass352.09
IUPAC Name[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine
SMILESCOCCn1ncc(Br)c1C(NN)c1ccc(C)c(C)c1
InChIInChI=1S/C15H21BrN4O/c1-10-4-5-12(8-11(10)2)14(19-17)15-13(16)9-18-20(15)6-7-21-3/h4-5,8-9,14,19H,6-7,17H2,1-3H3
InChIKeyCFWVWONSGRVEGP-UHFFFAOYSA-N
XLogP2.46
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.46
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-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine
CID 105190947
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methyl]hydrazine
CID 105200540
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]hydrazine
CID 105221413
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-5-methylphenyl)methyl]hydrazine
CID 105337269
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methyl]hydrazine
CID 105337265
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105342343
[(4-bromo-2-fluorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105281020
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 105337364
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-4-methylphenyl)methanamine
CID 105042971
[(4-bromo-1-propylpyrazol-5-yl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 105201663
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxy-3-methylphenyl)methanamine
CID 114659333
[(4-bromo-1-propylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105336612

Frequently Asked Questions

What is the IUPAC name of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine?
The IUPAC name of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine (CID 105337275) is [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine?
The canonical SMILES for [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine is COCCn1ncc(Br)c1C(NN)c1ccc(C)c(C)c1.
What is the InChIKey of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine?
The InChIKey is CFWVWONSGRVEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O/c1-10-4-5-12(8-11(10)2)14(19-17)15-13(16)9-18-20(15)6-7-21-3/h4-5,8-9,14,19H,6-7,17H2,1-3H3.
What are the key properties of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine?
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine has a molecular weight of 353.26 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3,4-dimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 105337275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).