[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine

C12H16Cl2N4S — CID 105316820

IUPAC[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)c2ccc(Cl)s2)c1Cl
InChIInChI=1S/C12H16Cl2N4S/c1-3-7-12(14)9(18(2)17-7)6-8(16-15)10-4-5-11(13)19-10/h4-5,8,16H,3,6,15H2,1-2H3
InChIKeySHONLIIAEIBOTC-UHFFFAOYSA-N
MW319.26 g/mol
LogP3.10
Rot. Bonds5

About [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine

[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine (PubChem CID 105316820) has the molecular formula C12H16Cl2N4S and a molecular weight of 319.26 g/mol. Its IUPAC name is [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine
PubChem CID105316820
Molecular FormulaC12H16Cl2N4S
Molecular Weight319.26 g/mol
Exact Mass318.05
IUPAC Name[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine
SMILESCCc1nn(C)c(CC(NN)c2ccc(Cl)s2)c1Cl
InChIInChI=1S/C12H16Cl2N4S/c1-3-7-12(14)9(18(2)17-7)6-8(16-15)10-4-5-11(13)19-10/h4-5,8,16H,3,6,15H2,1-2H3
InChIKeySHONLIIAEIBOTC-UHFFFAOYSA-N
XLogP3.10
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.26
LogP ≤ 53.10
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-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 104998492
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105316821
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)ethyl]hydrazine
CID 105316860
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)-N-methylethanamine
CID 105001358
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,6-difluorophenyl)ethyl]hydrazine
CID 105246689
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-3-fluorophenyl)ethyl]hydrazine
CID 105316835
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105279877
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-pyridin-3-ylethyl]hydrazine
CID 105196221
[1-(5-chlorothiophen-2-yl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105296380
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 104998520
[1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322913
[1-(5-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312710

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine (CID 105316820) is [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine is CCc1nn(C)c(CC(NN)c2ccc(Cl)s2)c1Cl.
What is the InChIKey of [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine?
The InChIKey is SHONLIIAEIBOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N4S/c1-3-7-12(14)9(18(2)17-7)6-8(16-15)10-4-5-11(13)19-10/h4-5,8,16H,3,6,15H2,1-2H3.
What are the key properties of [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine?
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine has a molecular weight of 319.26 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105316820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).