5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

C12H17N3S — CID 82270041

IUPAC5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCCC(CC)c1cc2nc(C)cc(=S)n2[nH]1
InChIInChI=1S/C12H17N3S/c1-4-9(5-2)10-7-11-13-8(3)6-12(16)15(11)14-10/h6-7,9,14H,4-5H2,1-3H3
InChIKeySUENVAYXLNMKAS-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.60
Rot. Bonds3

About 5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 82270041) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID82270041
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCCC(CC)c1cc2nc(C)cc(=S)n2[nH]1
InChIInChI=1S/C12H17N3S/c1-4-9(5-2)10-7-11-13-8(3)6-12(16)15(11)14-10/h6-7,9,14H,4-5H2,1-3H3
InChIKeySUENVAYXLNMKAS-UHFFFAOYSA-N
XLogP3.60
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.60
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-propan-2-yl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270139
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-cyclopentyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270147
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
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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 82270041) is 5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is CCC(CC)c1cc2nc(C)cc(=S)n2[nH]1.
What is the InChIKey of 5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is SUENVAYXLNMKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-9(5-2)10-7-11-13-8(3)6-12(16)15(11)14-10/h6-7,9,14H,4-5H2,1-3H3.
What are the key properties of 5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 235.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 82270041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).