methyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C14H15F3N4O3 — CID 137018702

IUPACmethyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C14H15F3N4O3/c1-24-13(23)10-11(14(15,16)17)20-21-8(6-9(22)19-12(10)21)7-2-4-18-5-3-7/h6-7,18H,2-5H2,1H3,(H,19,22)
InChIKeyLYUYSIFYJPTUDJ-UHFFFAOYSA-N
MW344.29 g/mol
LogP1.29
Rot. Bonds2

About methyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

methyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137018702) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is methyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137018702
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC Namemethyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCOC(=O)c1c(C(F)(F)F)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C14H15F3N4O3/c1-24-13(23)10-11(14(15,16)17)20-21-8(6-9(22)19-12(10)21)7-2-4-18-5-3-7/h6-7,18H,2-5H2,1H3,(H,19,22)
InChIKeyLYUYSIFYJPTUDJ-UHFFFAOYSA-N
XLogP1.29
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate 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 methyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137018702) is methyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is COC(=O)c1c(C(F)(F)F)nn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of methyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is LYUYSIFYJPTUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3/c1-24-13(23)10-11(14(15,16)17)20-21-8(6-9(22)19-12(10)21)7-2-4-18-5-3-7/h6-7,18H,2-5H2,1H3,(H,19,22).
What are the key properties of methyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
methyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 344.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137018702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).