[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine

C14H18Cl2N4S — CID 105237757

IUPAC[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
SMILESCc1nn(C)c(Cl)c1CC(CSc1ccccc1Cl)NN
InChIInChI=1S/C14H18Cl2N4S/c1-9-11(14(16)20(2)19-9)7-10(18-17)8-21-13-6-4-3-5-12(13)15/h3-6,10,18H,7-8,17H2,1-2H3
InChIKeyUSYUPRNJTSJLPO-UHFFFAOYSA-N
MW345.30 g/mol
LogP3.20
Rot. Bonds6

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

[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine (PubChem CID 105237757) has the molecular formula C14H18Cl2N4S and a molecular weight of 345.30 g/mol. Its IUPAC name is [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
PubChem CID105237757
Molecular FormulaC14H18Cl2N4S
Molecular Weight345.30 g/mol
Exact Mass344.06
IUPAC Name[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
SMILESCc1nn(C)c(Cl)c1CC(CSc1ccccc1Cl)NN
InChIInChI=1S/C14H18Cl2N4S/c1-9-11(14(16)20(2)19-9)7-10(18-17)8-21-13-6-4-3-5-12(13)15/h3-6,10,18H,7-8,17H2,1-2H3
InChIKeyUSYUPRNJTSJLPO-UHFFFAOYSA-N
XLogP3.20
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 53.20
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

[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105216057
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(3-chloro-2-fluorophenyl)propan-2-yl]hydrazine
CID 105264489
1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine
CID 105245830
1-(2-chlorophenyl)sulfanyl-N-methyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761997
[1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-yl]hydrazine
CID 105237720
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methoxypentan-2-yl]hydrazine
CID 105225160
3-[3-(2-chlorophenyl)sulfanyl-2-hydrazinylpropyl]pyridin-2-amine
CID 105237744
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105333976
[1-(2-chloro-6-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105289114
[1-(3-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237759
[1-(2-chlorophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105237715
[1-(4-bromo-3-chlorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 105334045

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine (CID 105237757) is [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine is Cc1nn(C)c(Cl)c1CC(CSc1ccccc1Cl)NN.
What is the InChIKey of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine?
The InChIKey is USYUPRNJTSJLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N4S/c1-9-11(14(16)20(2)19-9)7-10(18-17)8-21-13-6-4-3-5-12(13)15/h3-6,10,18H,7-8,17H2,1-2H3.
What are the key properties of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine?
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine has a molecular weight of 345.30 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105237757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).