2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

C15H15N3OS — CID 82270058

IUPAC2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCCOc1ccc(-c2cc3nc(C)cc(=S)n3[nH]2)cc1
InChIInChI=1S/C15H15N3OS/c1-3-19-12-6-4-11(5-7-12)13-9-14-16-10(2)8-15(20)18(14)17-13/h4-9,17H,3H2,1-2H3
InChIKeyHKUJLOMVVIYZJI-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.77
Rot. Bonds3

About 2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 82270058) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID82270058
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCCOc1ccc(-c2cc3nc(C)cc(=S)n3[nH]2)cc1
InChIInChI=1S/C15H15N3OS/c1-3-19-12-6-4-11(5-7-12)13-9-14-16-10(2)8-15(20)18(14)17-13/h4-9,17H,3H2,1-2H3
InChIKeyHKUJLOMVVIYZJI-UHFFFAOYSA-N
XLogP3.77
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-ethoxyphenyl)-2-methyl-1H-imidazole
CID 116883826
4-[2-(4-chlorophenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-N-(4-ethoxyphenyl)piperidine-1-carbothioamide
CID 46253385
6-(4-ethoxyphenyl)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106514276
5-[4-[(4-ethoxyphenyl)methyl]phenyl]-1H-pyrazole
CID 90323208
5-(4-ethoxyphenyl)-1H-imidazol-2-amine
CID 12733698
3-(4-ethoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
CID 740361
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 5202512
5-[(4-ethoxyphenyl)methyl]-1,3-dihydrobenzimidazole-2-thione
CID 19812007
4-butyl-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 165351003
[4-(4-ethoxyphenyl)-6-methylpyrimidin-2-yl]methanol
CID 116893816
2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 652947
3-[(4-ethoxyphenyl)diazenyl]-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 7313807

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 82270058) is 2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is CCOc1ccc(-c2cc3nc(C)cc(=S)n3[nH]2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is HKUJLOMVVIYZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-3-19-12-6-4-11(5-7-12)13-9-14-16-10(2)8-15(20)18(14)17-13/h4-9,17H,3H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 285.37 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 82270058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).