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

C11H13N3S — CID 82270042

IUPAC2-cyclobutyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cc(=S)n2[nH]c(C3CCC3)cc2n1
InChIInChI=1S/C11H13N3S/c1-7-5-11(15)14-10(12-7)6-9(13-14)8-3-2-4-8/h5-6,8,13H,2-4H2,1H3
InChIKeyAJOKSOBVMFSGAP-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.97
Rot. Bonds1

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

2-cyclobutyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 82270042) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-cyclobutyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name2-cyclobutyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID82270042
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-cyclobutyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cc(=S)n2[nH]c(C3CCC3)cc2n1
InChIInChI=1S/C11H13N3S/c1-7-5-11(15)14-10(12-7)6-9(13-14)8-3-2-4-8/h5-6,8,13H,2-4H2,1H3
InChIKeyAJOKSOBVMFSGAP-UHFFFAOYSA-N
XLogP2.97
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.97
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-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
2-cyclopropyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270076

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 2-cyclobutyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 82270042) is 2-cyclobutyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 2-cyclobutyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 2-cyclobutyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is Cc1cc(=S)n2[nH]c(C3CCC3)cc2n1.
What is the InChIKey of 2-cyclobutyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is AJOKSOBVMFSGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-7-5-11(15)14-10(12-7)6-9(13-14)8-3-2-4-8/h5-6,8,13H,2-4H2,1H3.
What are the key properties of 2-cyclobutyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
2-cyclobutyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 219.31 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 82270042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).