[(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine

C12H16Br2N4S — CID 105337035

IUPAC[(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCc1cc(C(NN)c2c(Br)cnn2C(C)C)sc1Br
InChIInChI=1S/C12H16Br2N4S/c1-6(2)18-11(8(13)5-16-18)10(17-15)9-4-7(3)12(14)19-9/h4-6,10,17H,15H2,1-3H3
InChIKeyJWGYZRWLEMJGHV-UHFFFAOYSA-N
MW408.16 g/mol
LogP3.91
Rot. Bonds4

About [(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine

[(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105337035) has the molecular formula C12H16Br2N4S and a molecular weight of 408.16 g/mol. Its IUPAC name is [(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
PubChem CID105337035
Molecular FormulaC12H16Br2N4S
Molecular Weight408.16 g/mol
Exact Mass405.95
IUPAC Name[(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCc1cc(C(NN)c2c(Br)cnn2C(C)C)sc1Br
InChIInChI=1S/C12H16Br2N4S/c1-6(2)18-11(8(13)5-16-18)10(17-15)9-4-7(3)12(14)19-9/h4-6,10,17H,15H2,1-3H3
InChIKeyJWGYZRWLEMJGHV-UHFFFAOYSA-N
XLogP3.91
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.16
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-1-propan-2-ylpyrazol-5-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105337018
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methyl]hydrazine
CID 107970606
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine
CID 102805215
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine
CID 105200630
N-[(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 105048112
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105336954
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,4-dichlorophenyl)methyl]hydrazine
CID 105257041
[(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105337024
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2,5-difluorophenyl)methyl]hydrazine
CID 105337011
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]hydrazine
CID 105217795
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-pyrimidin-4-ylmethyl]hydrazine
CID 105220898
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105042170

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (CID 105337035) is [(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is Cc1cc(C(NN)c2c(Br)cnn2C(C)C)sc1Br.
What is the InChIKey of [(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is JWGYZRWLEMJGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N4S/c1-6(2)18-11(8(13)5-16-18)10(17-15)9-4-7(3)12(14)19-9/h4-6,10,17H,15H2,1-3H3.
What are the key properties of [(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
[(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 408.16 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105337035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).