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

C9H9N3S — CID 139361069

IUPAC5-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESS=c1cc(C2CC2)nc2cc[nH]n12
InChIInChI=1S/C9H9N3S/c13-9-5-7(6-1-2-6)11-8-3-4-10-12(8)9/h3-6,10H,1-2H2
InChIKeyPOLPVBFPAHTUHB-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.27
Rot. Bonds1

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

5-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 139361069) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 5-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name5-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID139361069
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name5-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESS=c1cc(C2CC2)nc2cc[nH]n12
InChIInChI=1S/C9H9N3S/c13-9-5-7(6-1-2-6)11-8-3-4-10-12(8)9/h3-6,10H,1-2H2
InChIKeyPOLPVBFPAHTUHB-UHFFFAOYSA-N
XLogP2.27
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 5-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 139361069) is 5-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 5-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 5-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is S=c1cc(C2CC2)nc2cc[nH]n12.
What is the InChIKey of 5-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is POLPVBFPAHTUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c13-9-5-7(6-1-2-6)11-8-3-4-10-12(8)9/h3-6,10H,1-2H2.
What are the key properties of 5-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
5-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 191.26 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 139361069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).