2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

C12H15N3S — CID 82270081

IUPAC2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCCc1cc(=S)n2[nH]c(C3CCC3)cc2n1
InChIInChI=1S/C12H15N3S/c1-2-9-6-12(16)15-11(13-9)7-10(14-15)8-4-3-5-8/h6-8,14H,2-5H2,1H3
InChIKeyXTYDJZXWRXRCNL-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.22
Rot. Bonds2

About 2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 82270081) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID82270081
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCCc1cc(=S)n2[nH]c(C3CCC3)cc2n1
InChIInChI=1S/C12H15N3S/c1-2-9-6-12(16)15-11(13-9)7-10(14-15)8-4-3-5-8/h6-8,14H,2-5H2,1H3
InChIKeyXTYDJZXWRXRCNL-UHFFFAOYSA-N
XLogP3.22
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.22
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-pentan-3-yl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270145
2-cyclobutyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270146
2-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 70405325
5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270035
2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270036
2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270037
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
5-ethyl-2-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270073
5-ethyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270074

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 82270081) is 2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is CCc1cc(=S)n2[nH]c(C3CCC3)cc2n1.
What is the InChIKey of 2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is XTYDJZXWRXRCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-9-6-12(16)15-11(13-9)7-10(14-15)8-4-3-5-8/h6-8,14H,2-5H2,1H3.
What are the key properties of 2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 233.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 82270081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).