ethyl 5-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

C16H18F3N3O2 — CID 166154634

IUPACethyl 5-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(C3CCCCC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C16H18F3N3O2/c1-2-24-15(23)12-9-14-20-11(10-6-4-3-5-7-10)8-13(16(17,18)19)22(14)21-12/h8-10H,2-7H2,1H3
InChIKeyFUDMHSWZKGIFTR-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.97
Rot. Bonds3

About ethyl 5-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

ethyl 5-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 166154634) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is ethyl 5-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID166154634
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Nameethyl 5-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc2nc(C3CCCCC3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C16H18F3N3O2/c1-2-24-15(23)12-9-14-20-11(10-6-4-3-5-7-10)8-13(16(17,18)19)22(14)21-12/h8-10H,2-7H2,1H3
InChIKeyFUDMHSWZKGIFTR-UHFFFAOYSA-N
XLogP3.97
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 5-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 166154634) is ethyl 5-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 5-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 5-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc2nc(C3CCCCC3)cc(C(F)(F)F)n2n1.
What is the InChIKey of ethyl 5-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is FUDMHSWZKGIFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-2-24-15(23)12-9-14-20-11(10-6-4-3-5-7-10)8-13(16(17,18)19)22(14)21-12/h8-10H,2-7H2,1H3.
What are the key properties of ethyl 5-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate?
ethyl 5-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 341.33 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclohexyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 166154634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).