N-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H16F3N3O2 — CID 47167737

IUPACN-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(NC(=O)Cn1ccc(C(F)(F)F)n1)C1CCCO1
InChIInChI=1S/C12H16F3N3O2/c1-8(9-3-2-6-20-9)16-11(19)7-18-5-4-10(17-18)12(13,14)15/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,19)
InChIKeyMWUXOGAFSQKFPD-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.59
Rot. Bonds4

About N-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 47167737) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID47167737
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC NameN-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(NC(=O)Cn1ccc(C(F)(F)F)n1)C1CCCO1
InChIInChI=1S/C12H16F3N3O2/c1-8(9-3-2-6-20-9)16-11(19)7-18-5-4-10(17-18)12(13,14)15/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,19)
InChIKeyMWUXOGAFSQKFPD-UHFFFAOYSA-N
XLogP1.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 47167737) is N-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(NC(=O)Cn1ccc(C(F)(F)F)n1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is MWUXOGAFSQKFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-8(9-3-2-6-20-9)16-11(19)7-18-5-4-10(17-18)12(13,14)15/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,19).
What are the key properties of N-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 291.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 47167737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).