[(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine

C12H21ClN4O2S — CID 105337213

IUPAC[(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)C1CCCCS1(=O)=O
InChIInChI=1S/C12H21ClN4O2S/c1-2-6-17-12(9(13)8-15-17)11(16-14)10-5-3-4-7-20(10,18)19/h8,10-11,16H,2-7,14H2,1H3
InChIKeyOFFHMSBTRAFLEL-UHFFFAOYSA-N
MW320.85 g/mol
LogP1.42
Rot. Bonds5

About [(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine

[(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine (PubChem CID 105337213) has the molecular formula C12H21ClN4O2S and a molecular weight of 320.85 g/mol. Its IUPAC name is [(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine
PubChem CID105337213
Molecular FormulaC12H21ClN4O2S
Molecular Weight320.85 g/mol
Exact Mass320.11
IUPAC Name[(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)C1CCCCS1(=O)=O
InChIInChI=1S/C12H21ClN4O2S/c1-2-6-17-12(9(13)8-15-17)11(16-14)10-5-3-4-7-20(10,18)19/h8,10-11,16H,2-7,14H2,1H3
InChIKeyOFFHMSBTRAFLEL-UHFFFAOYSA-N
XLogP1.42
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.85
LogP ≤ 51.42
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

[(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine
CID 105255730
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
CID 114658830
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine
CID 114647869
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042506
[(4-chloro-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105337240
[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244342
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
CID 105204303
N-[6-bicyclo[3.1.0]hexanyl-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042723
1-(4-chloro-1-propylpyrazol-5-yl)-3-cyclopentyl-N-methylpropan-1-amine
CID 105042610
1-(1,1-dioxothian-2-yl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115858133
1-[(4-chloro-1-propylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243209
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459015

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine (CID 105337213) is [(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine is CCCn1ncc(Cl)c1C(NN)C1CCCCS1(=O)=O.
What is the InChIKey of [(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine?
The InChIKey is OFFHMSBTRAFLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2S/c1-2-6-17-12(9(13)8-15-17)11(16-14)10-5-3-4-7-20(10,18)19/h8,10-11,16H,2-7,14H2,1H3.
What are the key properties of [(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine?
[(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine has a molecular weight of 320.85 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105337213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).