[(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine

C12H16Br2N4OS — CID 107970637

IUPAC[(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
SMILESCCCn1ncc(OC)c1C(NN)c1cc(Br)sc1Br
InChIInChI=1S/C12H16Br2N4OS/c1-3-4-18-11(8(19-2)6-16-18)10(17-15)7-5-9(13)20-12(7)14/h5-6,10,17H,3-4,15H2,1-2H3
InChIKeyQLFXPWUTZYQPRA-UHFFFAOYSA-N
MW424.16 g/mol
LogP3.44
Rot. Bonds6

About [(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine

[(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine (PubChem CID 107970637) has the molecular formula C12H16Br2N4OS and a molecular weight of 424.16 g/mol. Its IUPAC name is [(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
PubChem CID107970637
Molecular FormulaC12H16Br2N4OS
Molecular Weight424.16 g/mol
Exact Mass421.94
IUPAC Name[(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
SMILESCCCn1ncc(OC)c1C(NN)c1cc(Br)sc1Br
InChIInChI=1S/C12H16Br2N4OS/c1-3-4-18-11(8(19-2)6-16-18)10(17-15)7-5-9(13)20-12(7)14/h5-6,10,17H,3-4,15H2,1-2H3
InChIKeyQLFXPWUTZYQPRA-UHFFFAOYSA-N
XLogP3.44
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.16
LogP ≤ 53.44
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

4-bromo-2-[hydrazinyl-(4-methoxy-1-propylpyrazol-5-yl)methyl]aniline
CID 105263508
[(3-bromo-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105339867
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289
[(3-bromo-2-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105339857
[(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279840
[(4-methoxy-1-propylpyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 105339799
[(4-methoxy-1-propylpyrazol-5-yl)-pyridazin-4-ylmethyl]hydrazine
CID 105339836
(4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048739
[(3,4-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105257120
N-[(4-chloro-1-propylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107969130
[(4-methoxy-1-propylpyrazol-5-yl)-(2H-triazol-4-yl)methyl]hydrazine
CID 105254778
[(2-bromo-6-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105280420

Frequently Asked Questions

What is the IUPAC name of [(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine (CID 107970637) is [(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine is CCCn1ncc(OC)c1C(NN)c1cc(Br)sc1Br.
What is the InChIKey of [(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is QLFXPWUTZYQPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N4OS/c1-3-4-18-11(8(19-2)6-16-18)10(17-15)7-5-9(13)20-12(7)14/h5-6,10,17H,3-4,15H2,1-2H3.
What are the key properties of [(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine?
[(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 424.16 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 107970637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).