2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione

C11H18N2OS — CID 62408507

IUPAC2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione
SMILESCOCc1cc(=S)n(C2CCCCC2)[nH]1
InChIInChI=1S/C11H18N2OS/c1-14-8-9-7-11(15)13(12-9)10-5-3-2-4-6-10/h7,10,12H,2-6,8H2,1H3
InChIKeyHVONUKSCYSXFBN-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.20
Rot. Bonds3

About 2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione

2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione (PubChem CID 62408507) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione.

Molecular Properties

Compound Name2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione
PubChem CID62408507
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione
SMILESCOCc1cc(=S)n(C2CCCCC2)[nH]1
InChIInChI=1S/C11H18N2OS/c1-14-8-9-7-11(15)13(12-9)10-5-3-2-4-6-10/h7,10,12H,2-6,8H2,1H3
InChIKeyHVONUKSCYSXFBN-UHFFFAOYSA-N
XLogP3.20
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(methoxymethyl)-2-methyl-1H-pyrazole-3-thione
CID 62408490
2-(3,5-dimethylphenyl)-5-(methoxymethyl)-1H-pyrazole-3-thione
CID 62410599
2-cyclopentyl-5-ethyl-1H-pyrazol-3-one
CID 66020467
2-(oxolan-3-yl)-5-propyl-1H-pyrazole-3-thione
CID 130570235
2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477585
2-cyclohexyl-5-(2-oxopropyl)-1H-pyrazol-3-one
CID 83890709
5-(methoxymethyl)-2-(3-methoxyphenyl)-1H-pyrazole-3-thione
CID 114798733
4-cyclopentyl-3-(methoxymethyl)-1H-1,2,4-triazole-5-thione
CID 27261286
2-(5-bromo-2-pyridinyl)-5-(methoxymethyl)-1H-pyrazole-3-thione
CID 65349520
5-(methoxymethyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazole-3-thione
CID 62408882
5-tert-butyl-2-cyclohexyl-1H-pyrazol-3-one
CID 66021285
6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106477587

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione?
The IUPAC name of 2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione (CID 62408507) is 2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione.
What is the SMILES notation for 2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione?
The canonical SMILES for 2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione is COCc1cc(=S)n(C2CCCCC2)[nH]1.
What is the InChIKey of 2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione?
The InChIKey is HVONUKSCYSXFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-14-8-9-7-11(15)13(12-9)10-5-3-2-4-6-10/h7,10,12H,2-6,8H2,1H3.
What are the key properties of 2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione?
2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione has a molecular weight of 226.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(methoxymethyl)-1H-pyrazole-3-thione is sourced from PubChem (CID 62408507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).