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

C12H21ClN4S — CID 105255730

IUPAC[(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)C1CCCCS1
InChIInChI=1S/C12H21ClN4S/c1-2-6-17-12(9(13)8-15-17)11(16-14)10-5-3-4-7-18-10/h8,10-11,16H,2-7,14H2,1H3
InChIKeyMDFLKSXDONUEOE-UHFFFAOYSA-N
MW288.85 g/mol
LogP2.74
Rot. Bonds5

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

[(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine (PubChem CID 105255730) has the molecular formula C12H21ClN4S and a molecular weight of 288.85 g/mol. Its IUPAC name is [(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine
PubChem CID105255730
Molecular FormulaC12H21ClN4S
Molecular Weight288.85 g/mol
Exact Mass288.12
IUPAC Name[(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)C1CCCCS1
InChIInChI=1S/C12H21ClN4S/c1-2-6-17-12(9(13)8-15-17)11(16-14)10-5-3-4-7-18-10/h8,10-11,16H,2-7,14H2,1H3
InChIKeyMDFLKSXDONUEOE-UHFFFAOYSA-N
XLogP2.74
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.85
LogP ≤ 52.74
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

[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255597
[(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothian-2-yl)methyl]hydrazine
CID 105337213
[(2-propylpyrazol-3-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255341
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
N-[(4-bromo-1-propylpyrazol-5-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114658889
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
CID 105204303
[(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine
CID 105255705
[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244342
N-[6-bicyclo[3.1.0]hexanyl-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042723

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine (CID 105255730) is [(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine is CCCn1ncc(Cl)c1C(NN)C1CCCCS1.
What is the InChIKey of [(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine?
The InChIKey is MDFLKSXDONUEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4S/c1-2-6-17-12(9(13)8-15-17)11(16-14)10-5-3-4-7-18-10/h8,10-11,16H,2-7,14H2,1H3.
What are the key properties of [(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine?
[(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine has a molecular weight of 288.85 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-propylpyrazol-5-yl)-(thian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).