[(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine

C11H15BrN4OS — CID 105336263

IUPAC[(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine
SMILESCCn1ncc(Br)c1C(NN)c1sccc1OC
InChIInChI=1S/C11H15BrN4OS/c1-3-16-10(7(12)6-14-16)9(15-13)11-8(17-2)4-5-18-11/h4-6,9,15H,3,13H2,1-2H3
InChIKeyVVMGISSWBXTYCW-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.29
Rot. Bonds5

About [(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine

[(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine (PubChem CID 105336263) has the molecular formula C11H15BrN4OS and a molecular weight of 331.24 g/mol. Its IUPAC name is [(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine
PubChem CID105336263
Molecular FormulaC11H15BrN4OS
Molecular Weight331.24 g/mol
Exact Mass330.01
IUPAC Name[(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine
SMILESCCn1ncc(Br)c1C(NN)c1sccc1OC
InChIInChI=1S/C11H15BrN4OS/c1-3-16-10(7(12)6-14-16)9(15-13)11-8(17-2)4-5-18-11/h4-6,9,15H,3,13H2,1-2H3
InChIKeyVVMGISSWBXTYCW-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-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339439
(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
CID 105040106
[(3-chlorothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339350
(1-ethyl-4-methoxypyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837106
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105039974
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105040396
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105042131
[(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339586
[(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339423
2-[(4-bromo-1-ethylpyrazol-5-yl)-hydrazinylmethyl]aniline
CID 105223904
[(4-bromo-1-ethylpyrazol-5-yl)-(5-chlorothiophen-2-yl)methyl]hydrazine
CID 105336143
[1-benzothiophen-3-yl-(4-bromo-1-ethylpyrazol-5-yl)methyl]hydrazine
CID 105336177

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine (CID 105336263) is [(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine is CCn1ncc(Br)c1C(NN)c1sccc1OC.
What is the InChIKey of [(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine?
The InChIKey is VVMGISSWBXTYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4OS/c1-3-16-10(7(12)6-14-16)9(15-13)11-8(17-2)4-5-18-11/h4-6,9,15H,3,13H2,1-2H3.
What are the key properties of [(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine?
[(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-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 [(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105336263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).