[2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine

C12H18N4S — CID 105315842

IUPAC[2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
SMILESCc1cc(CC(NN)c2sccc2C)n(C)n1
InChIInChI=1S/C12H18N4S/c1-8-4-5-17-12(8)11(14-13)7-10-6-9(2)15-16(10)3/h4-6,11,14H,7,13H2,1-3H3
InChIKeyTWBXVDUJWUCLRO-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.85
Rot. Bonds4

About [2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine

[2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine (PubChem CID 105315842) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is [2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
PubChem CID105315842
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name[2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
SMILESCc1cc(CC(NN)c2sccc2C)n(C)n1
InChIInChI=1S/C12H18N4S/c1-8-4-5-17-12(8)11(14-13)7-10-6-9(2)15-16(10)3/h4-6,11,14H,7,13H2,1-3H3
InChIKeyTWBXVDUJWUCLRO-UHFFFAOYSA-N
XLogP1.85
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.85
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-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 104996357
[2-(2,5-dimethylpyrazol-3-yl)-1-thiophen-3-ylethyl]hydrazine
CID 105196843
[1-(3-methylthiophen-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105322494
[2-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105329598
[2-(2,5-dimethylpyrazol-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105315724
[2-(2,5-dimethylpyrazol-3-yl)-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105211624
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 104996146
[1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105315837
[2-(1-methylimidazol-2-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105323002
4-[2-(2,5-dimethylpyrazol-3-yl)-1-hydrazinylethyl]-N,N-dimethylaniline
CID 105315713
1-(3-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811557
[2-(4-iodophenyl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105310356

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine (CID 105315842) is [2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine is Cc1cc(CC(NN)c2sccc2C)n(C)n1.
What is the InChIKey of [2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine?
The InChIKey is TWBXVDUJWUCLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-8-4-5-17-12(8)11(14-13)7-10-6-9(2)15-16(10)3/h4-6,11,14H,7,13H2,1-3H3.
What are the key properties of [2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine?
[2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine has a molecular weight of 250.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105315842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).