2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

C16H17N3OS — CID 82270130

IUPAC2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCCCc1cc(=S)n2[nH]c(-c3cccc(OC)c3)cc2n1
InChIInChI=1S/C16H17N3OS/c1-3-5-12-9-16(21)19-15(17-12)10-14(18-19)11-6-4-7-13(8-11)20-2/h4,6-10,18H,3,5H2,1-2H3
InChIKeyCCQOLSMQMWCMTA-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.02
Rot. Bonds4

About 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 82270130) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID82270130
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCCCc1cc(=S)n2[nH]c(-c3cccc(OC)c3)cc2n1
InChIInChI=1S/C16H17N3OS/c1-3-5-12-9-16(21)19-15(17-12)10-14(18-19)11-6-4-7-13(8-11)20-2/h4,6-10,18H,3,5H2,1-2H3
InChIKeyCCQOLSMQMWCMTA-UHFFFAOYSA-N
XLogP4.02
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methoxyphenyl)-5-propyl-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 82270130) is 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is CCCc1cc(=S)n2[nH]c(-c3cccc(OC)c3)cc2n1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is CCQOLSMQMWCMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-5-12-9-16(21)19-15(17-12)10-14(18-19)11-6-4-7-13(8-11)20-2/h4,6-10,18H,3,5H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 299.40 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 82270130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).