1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one

C14H15F3N4OS — CID 128909190

IUPAC1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESCc1cc2n(n1)C(C(F)(F)F)CCN2C(=O)CCc1nccs1
InChIInChI=1S/C14H15F3N4OS/c1-9-8-12-20(13(22)3-2-11-18-5-7-23-11)6-4-10(14(15,16)17)21(12)19-9/h5,7-8,10H,2-4,6H2,1H3
InChIKeyOPZCVIOERBFHCF-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.12
Rot. Bonds3

About 1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one

1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 128909190) has the molecular formula C14H15F3N4OS and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID128909190
Molecular FormulaC14H15F3N4OS
Molecular Weight344.36 g/mol
Exact Mass344.09
IUPAC Name1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESCc1cc2n(n1)C(C(F)(F)F)CCN2C(=O)CCc1nccs1
InChIInChI=1S/C14H15F3N4OS/c1-9-8-12-20(13(22)3-2-11-18-5-7-23-11)6-4-10(14(15,16)17)21(12)19-9/h5,7-8,10H,2-4,6H2,1H3
InChIKeyOPZCVIOERBFHCF-UHFFFAOYSA-N
XLogP3.12
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one 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 1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one (CID 128909190) is 1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one is Cc1cc2n(n1)C(C(F)(F)F)CCN2C(=O)CCc1nccs1.
What is the InChIKey of 1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is OPZCVIOERBFHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4OS/c1-9-8-12-20(13(22)3-2-11-18-5-7-23-11)6-4-10(14(15,16)17)21(12)19-9/h5,7-8,10H,2-4,6H2,1H3.
What are the key properties of 1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 344.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 128909190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).