propan-2-yl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate

C15H16F3N3O2S — CID 2884335

IUPACpropan-2-yl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCC(C)OC(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1cccs1)N2
InChIInChI=1S/C15H16F3N3O2S/c1-8(2)23-14(22)10-7-13-19-9(11-4-3-5-24-11)6-12(15(16,17)18)21(13)20-10/h3-5,7-9,12,19H,6H2,1-2H3
InChIKeyHXIDMDJLSPIIAL-UHFFFAOYSA-N
MW359.37 g/mol
LogP4.17
Rot. Bonds3

About propan-2-yl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate

propan-2-yl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 2884335) has the molecular formula C15H16F3N3O2S and a molecular weight of 359.37 g/mol. Its IUPAC name is propan-2-yl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID2884335
Molecular FormulaC15H16F3N3O2S
Molecular Weight359.37 g/mol
Exact Mass359.09
IUPAC Namepropan-2-yl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCC(C)OC(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1cccs1)N2
InChIInChI=1S/C15H16F3N3O2S/c1-8(2)23-14(22)10-7-13-19-9(11-4-3-5-24-11)6-12(15(16,17)18)21(13)20-10/h3-5,7-9,12,19H,6H2,1-2H3
InChIKeyHXIDMDJLSPIIAL-UHFFFAOYSA-N
XLogP4.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of propan-2-yl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 2884335) is propan-2-yl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for propan-2-yl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for propan-2-yl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate is CC(C)OC(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1cccs1)N2.
What is the InChIKey of propan-2-yl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is HXIDMDJLSPIIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2S/c1-8(2)23-14(22)10-7-13-19-9(11-4-3-5-24-11)6-12(15(16,17)18)21(13)20-10/h3-5,7-9,12,19H,6H2,1-2H3.
What are the key properties of propan-2-yl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate?
propan-2-yl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 359.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 2884335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).