[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine

C12H22N4OS — CID 105255449

IUPAC[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
SMILESCOc1cnn(C(C)C)c1C(NN)C1CCCS1
InChIInChI=1S/C12H22N4OS/c1-8(2)16-12(9(17-3)7-14-16)11(15-13)10-5-4-6-18-10/h7-8,10-11,15H,4-6,13H2,1-3H3
InChIKeyYSGHWVBCUDHRMQ-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.87
Rot. Bonds5

About [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine

[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine (PubChem CID 105255449) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
PubChem CID105255449
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
SMILESCOc1cnn(C(C)C)c1C(NN)C1CCCS1
InChIInChI=1S/C12H22N4OS/c1-8(2)16-12(9(17-3)7-14-16)11(15-13)10-5-4-6-18-10/h7-8,10-11,15H,4-6,13H2,1-3H3
InChIKeyYSGHWVBCUDHRMQ-UHFFFAOYSA-N
XLogP1.87
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.87
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-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255309
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255597
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105224746
(1-ethyl-4-methoxypyrazol-5-yl)-(thiolan-2-yl)methanamine
CID 114658855
[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255443
[2,2,2-trifluoro-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
CID 105215710
[1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105339522
[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255403
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 105048203
2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114661294
[(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine
CID 105255705
2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114660326

Frequently Asked Questions

What is the IUPAC name of [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine?
The IUPAC name of [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine (CID 105255449) is [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine is COc1cnn(C(C)C)c1C(NN)C1CCCS1.
What is the InChIKey of [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine?
The InChIKey is YSGHWVBCUDHRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-8(2)16-12(9(17-3)7-14-16)11(15-13)10-5-4-6-18-10/h7-8,10-11,15H,4-6,13H2,1-3H3.
What are the key properties of [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine?
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine has a molecular weight of 270.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).