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

C12H16BrN5O2 — CID 103524628

IUPAC4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
SMILESCOc1ccc(C(NN)c2cn[nH]c2N)c(OC)c1Br
InChIInChI=1S/C12H16BrN5O2/c1-19-8-4-3-6(11(20-2)9(8)13)10(17-15)7-5-16-18-12(7)14/h3-5,10,17H,15H2,1-2H3,(H3,14,16,18)
InChIKeyFVRIJMCEDIBTOT-UHFFFAOYSA-N
MW342.20 g/mol
LogP1.32
Rot. Bonds5

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

4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine (PubChem CID 103524628) has the molecular formula C12H16BrN5O2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
PubChem CID103524628
Molecular FormulaC12H16BrN5O2
Molecular Weight342.20 g/mol
Exact Mass341.05
IUPAC Name4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
SMILESCOc1ccc(C(NN)c2cn[nH]c2N)c(OC)c1Br
InChIInChI=1S/C12H16BrN5O2/c1-19-8-4-3-6(11(20-2)9(8)13)10(17-15)7-5-16-18-12(7)14/h3-5,10,17H,15H2,1-2H3,(H3,14,16,18)
InChIKeyFVRIJMCEDIBTOT-UHFFFAOYSA-N
XLogP1.32
TPSA111.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 51.32
H-Bond Donors ≤ 54
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

4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 103524627
[(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 103524736
[(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-pyrimidin-5-ylmethanamine
CID 103524439
[(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine
CID 103524729
4-bromo-5-methoxy-1H-indazole
CID 46941913
4-[(4-fluorophenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
CID 105231191
4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
CID 105231284
(5-amino-1-methylpyrazol-4-yl)-(3-bromo-2,4-dimethoxyphenyl)methanol
CID 103523206
[(3-bromo-2,4-dimethoxyphenyl)-cyclohexylmethyl]hydrazine
CID 103524580
[(3-bromo-2,4-dimethoxyphenyl)-(oxolan-2-yl)methyl]hydrazine
CID 103524623

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine (CID 103524628) is 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine is COc1ccc(C(NN)c2cn[nH]c2N)c(OC)c1Br.
What is the InChIKey of 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine?
The InChIKey is FVRIJMCEDIBTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O2/c1-19-8-4-3-6(11(20-2)9(8)13)10(17-15)7-5-16-18-12(7)14/h3-5,10,17H,15H2,1-2H3,(H3,14,16,18).
What are the key properties of 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine?
4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine has a molecular weight of 342.20 g/mol, XLogP of 1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2,4-dimethoxyphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 103524628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).