2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone

C17H21F3N4O2 — CID 50809148

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCCCc1cc(C2CCCN2C(=O)Cn2nc(C(F)(F)F)cc2C)no1
InChIInChI=1S/C17H21F3N4O2/c1-3-5-12-9-13(22-26-12)14-6-4-7-23(14)16(25)10-24-11(2)8-15(21-24)17(18,19)20/h8-9,14H,3-7,10H2,1-2H3
InChIKeyNZTFHPCQLHFKHV-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.51
Rot. Bonds5

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 50809148) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID50809148
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCCCc1cc(C2CCCN2C(=O)Cn2nc(C(F)(F)F)cc2C)no1
InChIInChI=1S/C17H21F3N4O2/c1-3-5-12-9-13(22-26-12)14-6-4-7-23(14)16(25)10-24-11(2)8-15(21-24)17(18,19)20/h8-9,14H,3-7,10H2,1-2H3
InChIKeyNZTFHPCQLHFKHV-UHFFFAOYSA-N
XLogP3.51
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone (CID 50809148) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone is CCCc1cc(C2CCCN2C(=O)Cn2nc(C(F)(F)F)cc2C)no1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is NZTFHPCQLHFKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-3-5-12-9-13(22-26-12)14-6-4-7-23(14)16(25)10-24-11(2)8-15(21-24)17(18,19)20/h8-9,14H,3-7,10H2,1-2H3.
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 370.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50809148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).