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

C15H21ClN4S — CID 105316992

IUPAC[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine
SMILESCCn1nc(C)c(Cl)c1CC(NN)c1ccc(SC)cc1
InChIInChI=1S/C15H21ClN4S/c1-4-20-14(15(16)10(2)19-20)9-13(18-17)11-5-7-12(21-3)8-6-11/h5-8,13,18H,4,9,17H2,1-3H3
InChIKeyOMJXZWLOZCQGBU-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.33
Rot. Bonds6

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

[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine (PubChem CID 105316992) has the molecular formula C15H21ClN4S and a molecular weight of 324.88 g/mol. Its IUPAC name is [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine
PubChem CID105316992
Molecular FormulaC15H21ClN4S
Molecular Weight324.88 g/mol
Exact Mass324.12
IUPAC Name[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine
SMILESCCn1nc(C)c(Cl)c1CC(NN)c1ccc(SC)cc1
InChIInChI=1S/C15H21ClN4S/c1-4-20-14(15(16)10(2)19-20)9-13(18-17)11-5-7-12(21-3)8-6-11/h5-8,13,18H,4,9,17H2,1-3H3
InChIKeyOMJXZWLOZCQGBU-UHFFFAOYSA-N
XLogP3.33
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.33
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-1-ethyl-3-methylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196368
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105228301
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213762
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-methyl-2-pyridinyl)ethyl]hydrazine
CID 105209109
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dibromophenyl)ethyl]hydrazine
CID 105316977
[1-(3-bromo-2-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317005
[1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317018
[1-(4-bromo-2-chlorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]hydrazine
CID 105317004
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105190787
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105263692
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethyl-4-pyridinyl)ethyl]hydrazine
CID 105262062
[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105264979

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine (CID 105316992) is [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine is CCn1nc(C)c(Cl)c1CC(NN)c1ccc(SC)cc1.
What is the InChIKey of [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine?
The InChIKey is OMJXZWLOZCQGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4S/c1-4-20-14(15(16)10(2)19-20)9-13(18-17)11-5-7-12(21-3)8-6-11/h5-8,13,18H,4,9,17H2,1-3H3.
What are the key properties of [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine?
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine has a molecular weight of 324.88 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105316992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).