[1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine

C12H23ClN4S — CID 105227300

IUPAC[1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine
SMILESCCC(C)SCC(Cc1c(Cl)c(C)nn1C)NN
InChIInChI=1S/C12H23ClN4S/c1-5-8(2)18-7-10(15-14)6-11-12(13)9(3)16-17(11)4/h8,10,15H,5-7,14H2,1-4H3
InChIKeyOTNJOUDTHHFCNG-UHFFFAOYSA-N
MW290.86 g/mol
LogP2.29
Rot. Bonds7

About [1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine

[1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine (PubChem CID 105227300) has the molecular formula C12H23ClN4S and a molecular weight of 290.86 g/mol. Its IUPAC name is [1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine
PubChem CID105227300
Molecular FormulaC12H23ClN4S
Molecular Weight290.86 g/mol
Exact Mass290.13
IUPAC Name[1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine
SMILESCCC(C)SCC(Cc1c(Cl)c(C)nn1C)NN
InChIInChI=1S/C12H23ClN4S/c1-5-8(2)18-7-10(15-14)6-11-12(13)9(3)16-17(11)4/h8,10,15H,5-7,14H2,1-4H3
InChIKeyOTNJOUDTHHFCNG-UHFFFAOYSA-N
XLogP2.29
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.86
LogP ≤ 52.29
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

[5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-yl]hydrazine
CID 105235793
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213762
[1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105227116
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-3-methyl-4-methylsulfanylbutan-2-amine
CID 114221990
[1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-ethoxy-4-methylpentan-2-yl]hydrazine
CID 105272570
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropylethyl]hydrazine
CID 105202592
[1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine
CID 103312839
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine
CID 104996645
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]butan-1-ol
CID 66057532
4-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81015475
1-(4-chloro-1,3-dimethylpyrazol-5-yl)octan-2-amine
CID 104996704
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105316011

Frequently Asked Questions

What is the IUPAC name of [1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine (CID 105227300) is [1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine is CCC(C)SCC(Cc1c(Cl)c(C)nn1C)NN.
What is the InChIKey of [1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine?
The InChIKey is OTNJOUDTHHFCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN4S/c1-5-8(2)18-7-10(15-14)6-11-12(13)9(3)16-17(11)4/h8,10,15H,5-7,14H2,1-4H3.
What are the key properties of [1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine?
[1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine has a molecular weight of 290.86 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105227300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).