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

C7H7N3S — CID 19022437

IUPAC7-methyl-1H-pyrazolo[1,5-a]pyrimidine-5-thione
SMILESCc1cc(=S)nc2cc[nH]n12
InChIInChI=1S/C7H7N3S/c1-5-4-7(11)9-6-2-3-8-10(5)6/h2-4,8H,1H3
InChIKeyZCHUJNBTXBNGGC-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.70
Rot. Bonds

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

7-methyl-1H-pyrazolo[1,5-a]pyrimidine-5-thione (PubChem CID 19022437) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 7-methyl-1H-pyrazolo[1,5-a]pyrimidine-5-thione.

Molecular Properties

Compound Name7-methyl-1H-pyrazolo[1,5-a]pyrimidine-5-thione
PubChem CID19022437
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name7-methyl-1H-pyrazolo[1,5-a]pyrimidine-5-thione
SMILESCc1cc(=S)nc2cc[nH]n12
InChIInChI=1S/C7H7N3S/c1-5-4-7(11)9-6-2-3-8-10(5)6/h2-4,8H,1H3
InChIKeyZCHUJNBTXBNGGC-UHFFFAOYSA-N
XLogP1.70
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-methyl-1H-pyrazolo[1,5-a]pyrimidine-5-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 7-methyl-1H-pyrazolo[1,5-a]pyrimidine-5-thione?
The IUPAC name of 7-methyl-1H-pyrazolo[1,5-a]pyrimidine-5-thione (CID 19022437) is 7-methyl-1H-pyrazolo[1,5-a]pyrimidine-5-thione.
What is the SMILES notation for 7-methyl-1H-pyrazolo[1,5-a]pyrimidine-5-thione?
The canonical SMILES for 7-methyl-1H-pyrazolo[1,5-a]pyrimidine-5-thione is Cc1cc(=S)nc2cc[nH]n12.
What is the InChIKey of 7-methyl-1H-pyrazolo[1,5-a]pyrimidine-5-thione?
The InChIKey is ZCHUJNBTXBNGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-5-4-7(11)9-6-2-3-8-10(5)6/h2-4,8H,1H3.
What are the key properties of 7-methyl-1H-pyrazolo[1,5-a]pyrimidine-5-thione?
7-methyl-1H-pyrazolo[1,5-a]pyrimidine-5-thione has a molecular weight of 165.22 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1H-pyrazolo[1,5-a]pyrimidine-5-thione is sourced from PubChem (CID 19022437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).