(5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone

C13H12F3N3O2 — CID 18996942

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESCCn1cc(C(=O)c2cnoc2C2CC2)c(C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3O2/c1-2-19-6-9(12(18-19)13(14,15)16)10(20)8-5-17-21-11(8)7-3-4-7/h5-7H,2-4H2,1H3
InChIKeyJFCCWPJDURZKPB-UHFFFAOYSA-N
MW299.25 g/mol
LogP3.02
Rot. Bonds4

About (5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone

(5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone (PubChem CID 18996942) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
PubChem CID18996942
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESCCn1cc(C(=O)c2cnoc2C2CC2)c(C(F)(F)F)n1
InChIInChI=1S/C13H12F3N3O2/c1-2-19-6-9(12(18-19)13(14,15)16)10(20)8-5-17-21-11(8)7-3-4-7/h5-7H,2-4H2,1H3
InChIKeyJFCCWPJDURZKPB-UHFFFAOYSA-N
XLogP3.02
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone 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 (5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone (CID 18996942) is (5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone is CCn1cc(C(=O)c2cnoc2C2CC2)c(C(F)(F)F)n1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone?
The InChIKey is JFCCWPJDURZKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-2-19-6-9(12(18-19)13(14,15)16)10(20)8-5-17-21-11(8)7-3-4-7/h5-7H,2-4H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone has a molecular weight of 299.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-4-yl)-[1-ethyl-3-(trifluoromethyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 18996942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).