[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine

C12H17ClN4OS — CID 105316064

IUPAC[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
SMILESCOc1ccsc1C(Cc1c(Cl)c(C)nn1C)NN
InChIInChI=1S/C12H17ClN4OS/c1-7-11(13)9(17(2)16-7)6-8(15-14)12-10(18-3)4-5-19-12/h4-5,8,15H,6,14H2,1-3H3
InChIKeyZUYFPXRHGUEPNN-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.20
Rot. Bonds5

About [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine

[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine (PubChem CID 105316064) has the molecular formula C12H17ClN4OS and a molecular weight of 300.81 g/mol. Its IUPAC name is [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
PubChem CID105316064
Molecular FormulaC12H17ClN4OS
Molecular Weight300.81 g/mol
Exact Mass300.08
IUPAC Name[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
SMILESCOc1ccsc1C(Cc1c(Cl)c(C)nn1C)NN
InChIInChI=1S/C12H17ClN4OS/c1-7-11(13)9(17(2)16-7)6-8(15-14)12-10(18-3)4-5-19-12/h4-5,8,15H,6,14H2,1-3H3
InChIKeyZUYFPXRHGUEPNN-UHFFFAOYSA-N
XLogP2.20
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.20
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

[1-(3-bromothiophen-2-yl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethyl]hydrazine
CID 105316016
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethyl]hydrazine
CID 105252566
[2-(3-chloro-4-pyridinyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105314849
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105316011
1-(3-methoxythiophen-2-yl)propylhydrazine
CID 105281967
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105316041
[1-(3-methoxythiophen-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105285283
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chloro-2-methylphenyl)ethyl]hydrazine
CID 105316072
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-methylphenyl)ethyl]hydrazine
CID 105315986
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 104996528
[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105312638
[2-(4-iodophenyl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine
CID 105310401

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine (CID 105316064) is [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine is COc1ccsc1C(Cc1c(Cl)c(C)nn1C)NN.
What is the InChIKey of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine?
The InChIKey is ZUYFPXRHGUEPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4OS/c1-7-11(13)9(17(2)16-7)6-8(15-14)12-10(18-3)4-5-19-12/h4-5,8,15H,6,14H2,1-3H3.
What are the key properties of [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine?
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine has a molecular weight of 300.81 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105316064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).