[1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine

C14H19BrN4O2 — CID 105203934

IUPAC[1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(CC(NN)c2c(Br)cnn2C)cc1OC
InChIInChI=1S/C14H19BrN4O2/c1-19-14(10(15)8-17-19)11(18-16)6-9-4-5-12(20-2)13(7-9)21-3/h4-5,7-8,11,18H,6,16H2,1-3H3
InChIKeySDIGKRRPPRUDDA-UHFFFAOYSA-N
MW355.24 g/mol
LogP1.95
Rot. Bonds6

About [1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine

[1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine (PubChem CID 105203934) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is [1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine
PubChem CID105203934
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name[1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(CC(NN)c2c(Br)cnn2C)cc1OC
InChIInChI=1S/C14H19BrN4O2/c1-19-14(10(15)8-17-19)11(18-16)6-9-4-5-12(20-2)13(7-9)21-3/h4-5,7-8,11,18H,6,16H2,1-3H3
InChIKeySDIGKRRPPRUDDA-UHFFFAOYSA-N
XLogP1.95
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethyl]hydrazine
CID 105195307
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 114648152
[2-(3,4-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)ethyl]hydrazine
CID 112742832
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 114648364
1-(4-bromo-1-methylpyrazol-5-yl)butylhydrazine
CID 105202210
[1-(4-bromo-1-methylpyrazol-5-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105199943
(3-bromo-4-methoxyphenyl)-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054199
[2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine
CID 107504894
[2-(3,4-difluorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethyl]hydrazine
CID 112742897
[1-(5-bromo-3-methyltriazol-4-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
CID 106465858
[1-(4-bromo-1-propylpyrazol-5-yl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105205100
[1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105203864

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine (CID 105203934) is [1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine is COc1ccc(CC(NN)c2c(Br)cnn2C)cc1OC.
What is the InChIKey of [1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine?
The InChIKey is SDIGKRRPPRUDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c1-19-14(10(15)8-17-19)11(18-16)6-9-4-5-12(20-2)13(7-9)21-3/h4-5,7-8,11,18H,6,16H2,1-3H3.
What are the key properties of [1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine?
[1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine has a molecular weight of 355.24 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105203934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).