5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C18H23F3N4S — CID 46955752

IUPAC5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCCN3C3CCSCC3)cc2n1
InChIInChI=1S/C18H23F3N4S/c1-2-12-10-16(18(19,20)21)25-17(22-12)11-14(23-25)15-4-3-7-24(15)13-5-8-26-9-6-13/h10-11,13,15H,2-9H2,1H3
InChIKeyCZEMGAWBWRQKSX-UHFFFAOYSA-N
MW384.47 g/mol
LogP4.34
Rot. Bonds3

About 5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 46955752) has the molecular formula C18H23F3N4S and a molecular weight of 384.47 g/mol. Its IUPAC name is 5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID46955752
Molecular FormulaC18H23F3N4S
Molecular Weight384.47 g/mol
Exact Mass384.16
IUPAC Name5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCCN3C3CCSCC3)cc2n1
InChIInChI=1S/C18H23F3N4S/c1-2-12-10-16(18(19,20)21)25-17(22-12)11-14(23-25)15-4-3-7-24(15)13-5-8-26-9-6-13/h10-11,13,15H,2-9H2,1H3
InChIKeyCZEMGAWBWRQKSX-UHFFFAOYSA-N
XLogP4.34
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 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 5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 46955752) is 5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CCc1cc(C(F)(F)F)n2nc(C3CCCN3C3CCSCC3)cc2n1.
What is the InChIKey of 5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is CZEMGAWBWRQKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4S/c1-2-12-10-16(18(19,20)21)25-17(22-12)11-14(23-25)15-4-3-7-24(15)13-5-8-26-9-6-13/h10-11,13,15H,2-9H2,1H3.
What are the key properties of 5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 384.47 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46955752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).