2-cyclohexyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

C14H19N3S — CID 82270166

IUPAC2-cyclohexyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1nc2cc(C3CCCCC3)[nH]n2c(=S)c1C
InChIInChI=1S/C14H19N3S/c1-9-10(2)15-13-8-12(16-17(13)14(9)18)11-6-4-3-5-7-11/h8,11,16H,3-7H2,1-2H3
InChIKeyQSXOCFGBBVTLSK-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.06
Rot. Bonds1

About 2-cyclohexyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

2-cyclohexyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 82270166) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-cyclohexyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name2-cyclohexyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID82270166
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-cyclohexyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1nc2cc(C3CCCCC3)[nH]n2c(=S)c1C
InChIInChI=1S/C14H19N3S/c1-9-10(2)15-13-8-12(16-17(13)14(9)18)11-6-4-3-5-7-11/h8,11,16H,3-7H2,1-2H3
InChIKeyQSXOCFGBBVTLSK-UHFFFAOYSA-N
XLogP4.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.06
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

2-cyclohexyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270143
2-cyclohexyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270039
5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270041
2-cyclobutyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270042
2-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270043
2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270078
5-ethyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270080
2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270081
2-cyclopentyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270082
2-propan-2-yl-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270108
2-cyclohexyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270112
2-pentan-3-yl-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270114

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 2-cyclohexyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 82270166) is 2-cyclohexyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 2-cyclohexyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 2-cyclohexyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is Cc1nc2cc(C3CCCCC3)[nH]n2c(=S)c1C.
What is the InChIKey of 2-cyclohexyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is QSXOCFGBBVTLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9-10(2)15-13-8-12(16-17(13)14(9)18)11-6-4-3-5-7-11/h8,11,16H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
2-cyclohexyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 261.39 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 82270166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).