5-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H16F3N5O2 — CID 46968549

IUPAC5-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1cc(CNC(=O)c2cnn3c(C(F)(F)F)cc(CC)nc23)on1
InChIInChI=1S/C16H16F3N5O2/c1-3-9-6-13(16(17,18)19)24-14(22-9)12(8-21-24)15(25)20-7-11-5-10(4-2)23-26-11/h5-6,8H,3-4,7H2,1-2H3,(H,20,25)
InChIKeyAJUDPMWBJYSSNX-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.79
Rot. Bonds5

About 5-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46968549) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 5-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46968549
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name5-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1cc(CNC(=O)c2cnn3c(C(F)(F)F)cc(CC)nc23)on1
InChIInChI=1S/C16H16F3N5O2/c1-3-9-6-13(16(17,18)19)24-14(22-9)12(8-21-24)15(25)20-7-11-5-10(4-2)23-26-11/h5-6,8H,3-4,7H2,1-2H3,(H,20,25)
InChIKeyAJUDPMWBJYSSNX-UHFFFAOYSA-N
XLogP2.79
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46968549) is 5-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1cc(CNC(=O)c2cnn3c(C(F)(F)F)cc(CC)nc23)on1.
What is the InChIKey of 5-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AJUDPMWBJYSSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c1-3-9-6-13(16(17,18)19)24-14(22-9)12(8-21-24)15(25)20-7-11-5-10(4-2)23-26-11/h5-6,8H,3-4,7H2,1-2H3,(H,20,25).
What are the key properties of 5-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46968549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).