2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide

C12H11F3N4O2 — CID 4767758

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccon1
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)9-5-8(7-1-2-7)19(17-9)6-11(20)16-10-3-4-21-18-10/h3-5,7H,1-2,6H2,(H,16,18,20)
InChIKeyGLJJEJJBIHKEJM-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.41
Rot. Bonds4

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 4767758) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID4767758
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccon1
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)9-5-8(7-1-2-7)19(17-9)6-11(20)16-10-3-4-21-18-10/h3-5,7H,1-2,6H2,(H,16,18,20)
InChIKeyGLJJEJJBIHKEJM-UHFFFAOYSA-N
XLogP2.41
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide (CID 4767758) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide is O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccon1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is GLJJEJJBIHKEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c13-12(14,15)9-5-8(7-1-2-7)19(17-9)6-11(20)16-10-3-4-21-18-10/h3-5,7H,1-2,6H2,(H,16,18,20).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 300.24 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4767758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).