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

C13H17N3S — CID 82270039

IUPAC2-cyclohexyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cc(=S)n2[nH]c(C3CCCCC3)cc2n1
InChIInChI=1S/C13H17N3S/c1-9-7-13(17)16-12(14-9)8-11(15-16)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
InChIKeyBPSHFXJMWVTAJX-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.75
Rot. Bonds1

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

2-cyclohexyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 82270039) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID82270039
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name2-cyclohexyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cc(=S)n2[nH]c(C3CCCCC3)cc2n1
InChIInChI=1S/C13H17N3S/c1-9-7-13(17)16-12(14-9)8-11(15-16)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3
InChIKeyBPSHFXJMWVTAJX-UHFFFAOYSA-N
XLogP3.75
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.75
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-pentan-3-yl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270145
2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270147
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 2-cyclohexyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 82270039) is 2-cyclohexyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 2-cyclohexyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 2-cyclohexyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is Cc1cc(=S)n2[nH]c(C3CCCCC3)cc2n1.
What is the InChIKey of 2-cyclohexyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is BPSHFXJMWVTAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-7-13(17)16-12(14-9)8-11(15-16)10-5-3-2-4-6-10/h7-8,10,15H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
2-cyclohexyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 247.37 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 82270039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).