[(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine

C12H17BrN4OS — CID 105339586

IUPAC[(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCOc1cnn(C(C)C)c1C(NN)c1sccc1Br
InChIInChI=1S/C12H17BrN4OS/c1-7(2)17-11(9(18-3)6-15-17)10(16-14)12-8(13)4-5-19-12/h4-7,10,16H,14H2,1-3H3
InChIKeyRIJDLRANIIFUOQ-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.85
Rot. Bonds5

About [(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine

[(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105339586) has the molecular formula C12H17BrN4OS and a molecular weight of 345.27 g/mol. Its IUPAC name is [(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
PubChem CID105339586
Molecular FormulaC12H17BrN4OS
Molecular Weight345.27 g/mol
Exact Mass344.03
IUPAC Name[(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCOc1cnn(C(C)C)c1C(NN)c1sccc1Br
InChIInChI=1S/C12H17BrN4OS/c1-7(2)17-11(9(18-3)6-15-17)10(16-14)12-8(13)4-5-19-12/h4-7,10,16H,14H2,1-3H3
InChIKeyRIJDLRANIIFUOQ-UHFFFAOYSA-N
XLogP2.85
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.85
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
[(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339573
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 105339621
[(2-bromo-4-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339550
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105042131
[(4-bromo-2-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339599
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methyl]hydrazine
CID 105200451
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115835397
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-bromothiophen-2-yl)methanamine
CID 105042373
[(4-bromo-1-ethylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105336263
[(3-bromothiophen-2-yl)-(2,4,5-trimethoxyphenyl)methyl]hydrazine
CID 105327817
[(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105219395

Frequently Asked Questions

What is the IUPAC name of [(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (CID 105339586) is [(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is COc1cnn(C(C)C)c1C(NN)c1sccc1Br.
What is the InChIKey of [(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is RIJDLRANIIFUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4OS/c1-7(2)17-11(9(18-3)6-15-17)10(16-14)12-8(13)4-5-19-12/h4-7,10,16H,14H2,1-3H3.
What are the key properties of [(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
[(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 345.27 g/mol, XLogP of 2.85, 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)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105339586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).