4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine

C13H18BrN5O2 — CID 103524627

IUPAC4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
SMILESCOc1ccc(C(NN)c2cnn(C)c2N)c(OC)c1Br
InChIInChI=1S/C13H18BrN5O2/c1-19-13(15)8(6-17-19)11(18-16)7-4-5-9(20-2)10(14)12(7)21-3/h4-6,11,18H,15-16H2,1-3H3
InChIKeyUWRMEAZNUAUVLE-UHFFFAOYSA-N
MW356.22 g/mol
LogP1.33
Rot. Bonds5

About 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine

4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine (PubChem CID 103524627) has the molecular formula C13H18BrN5O2 and a molecular weight of 356.22 g/mol. Its IUPAC name is 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
PubChem CID103524627
Molecular FormulaC13H18BrN5O2
Molecular Weight356.22 g/mol
Exact Mass355.06
IUPAC Name4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
SMILESCOc1ccc(C(NN)c2cnn(C)c2N)c(OC)c1Br
InChIInChI=1S/C13H18BrN5O2/c1-19-13(15)8(6-17-19)11(18-16)7-4-5-9(20-2)10(14)12(7)21-3/h4-6,11,18H,15-16H2,1-3H3
InChIKeyUWRMEAZNUAUVLE-UHFFFAOYSA-N
XLogP1.33
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 103524736
(5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol
CID 103523206
4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
CID 103524628
4-[(3-fluoro-4-methoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230905
[(3-bromo-2,4-dimethoxyphenyl)-pyridin-4-ylmethyl]hydrazine
CID 103524568
[(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine
CID 103524744
1-(3-bromo-2,4-dimethoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 103523398
4-[(2-chlorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230692
4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine
CID 105230863
4-(2,3-dimethoxy-6-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117440661
4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230790
4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine
CID 103140237

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine (CID 103524627) is 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine is COc1ccc(C(NN)c2cnn(C)c2N)c(OC)c1Br.
What is the InChIKey of 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine?
The InChIKey is UWRMEAZNUAUVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O2/c1-19-13(15)8(6-17-19)11(18-16)7-4-5-9(20-2)10(14)12(7)21-3/h4-6,11,18H,15-16H2,1-3H3.
What are the key properties of 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine?
4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine has a molecular weight of 356.22 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 103524627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).