[(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine

C11H15BrN4OS — CID 105339439

IUPAC[(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
SMILESCCn1ncc(OC)c1C(NN)c1sccc1Br
InChIInChI=1S/C11H15BrN4OS/c1-3-16-10(8(17-2)6-14-16)9(15-13)11-7(12)4-5-18-11/h4-6,9,15H,3,13H2,1-2H3
InChIKeyIVPFFQBJDZRGBM-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.29
Rot. Bonds5

About [(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine

[(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine (PubChem CID 105339439) has the molecular formula C11H15BrN4OS and a molecular weight of 331.24 g/mol. Its IUPAC name is [(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
PubChem CID105339439
Molecular FormulaC11H15BrN4OS
Molecular Weight331.24 g/mol
Exact Mass330.01
IUPAC Name[(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
SMILESCCn1ncc(OC)c1C(NN)c1sccc1Br
InChIInChI=1S/C11H15BrN4OS/c1-3-16-10(8(17-2)6-14-16)9(15-13)11-7(12)4-5-18-11/h4-6,9,15H,3,13H2,1-2H3
InChIKeyIVPFFQBJDZRGBM-UHFFFAOYSA-N
XLogP2.29
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.29
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

[(3-chlorothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339350
[(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105336263
[(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339586
1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105048698
N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105048861
[(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339423
[(3-bromo-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105268019
(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
CID 105040106
[(3-ethylthiophen-2-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105339015
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837106
[(1-ethyl-4-methoxypyrazol-5-yl)-(1,2,5-thiadiazol-3-yl)methyl]hydrazine
CID 105339368
[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105339343

Frequently Asked Questions

What is the IUPAC name of [(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine (CID 105339439) is [(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine is CCn1ncc(OC)c1C(NN)c1sccc1Br.
What is the InChIKey of [(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
The InChIKey is IVPFFQBJDZRGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4OS/c1-3-16-10(8(17-2)6-14-16)9(15-13)11-7(12)4-5-18-11/h4-6,9,15H,3,13H2,1-2H3.
What are the key properties of [(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine?
[(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine has a molecular weight of 331.24 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105339439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).