[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine

C15H21BrN4S — CID 105237087

IUPAC[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
SMILESCc1cccc(SCC(NN)c2c(Br)cnn2C(C)C)c1
InChIInChI=1S/C15H21BrN4S/c1-10(2)20-15(13(16)8-18-20)14(19-17)9-21-12-6-4-5-11(3)7-12/h4-8,10,14,19H,9,17H2,1-3H3
InChIKeyVROBCPOIIOXFOA-UHFFFAOYSA-N
MW369.33 g/mol
LogP3.83
Rot. Bonds6

About [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine

[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine (PubChem CID 105237087) has the molecular formula C15H21BrN4S and a molecular weight of 369.33 g/mol. Its IUPAC name is [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
PubChem CID105237087
Molecular FormulaC15H21BrN4S
Molecular Weight369.33 g/mol
Exact Mass368.07
IUPAC Name[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
SMILESCc1cccc(SCC(NN)c2c(Br)cnn2C(C)C)c1
InChIInChI=1S/C15H21BrN4S/c1-10(2)20-15(13(16)8-18-20)14(19-17)9-21-12-6-4-5-11(3)7-12/h4-8,10,14,19H,9,17H2,1-3H3
InChIKeyVROBCPOIIOXFOA-UHFFFAOYSA-N
XLogP3.83
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 53.83
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

[2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
CID 105238052
2-(3-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 114656355
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methylphenyl)methyl]hydrazine
CID 105200630
[2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105237107
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-chlorophenyl)sulfanylethanamine
CID 114656252
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethanol
CID 114644262
[1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 114213638
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105337018
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine
CID 105337015
[1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237281
[1-(furan-2-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237072
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105209054

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine (CID 105237087) is [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine is Cc1cccc(SCC(NN)c2c(Br)cnn2C(C)C)c1.
What is the InChIKey of [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
The InChIKey is VROBCPOIIOXFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4S/c1-10(2)20-15(13(16)8-18-20)14(19-17)9-21-12-6-4-5-11(3)7-12/h4-8,10,14,19H,9,17H2,1-3H3.
What are the key properties of [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine has a molecular weight of 369.33 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine is sourced from PubChem (CID 105237087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).