N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-methoxyacetamide

C12H16F3N3O2 — CID 71807722

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H16F3N3O2/c1-20-7-11(19)16-4-5-18-9(8-2-3-8)6-10(17-18)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,19)
InChIKeyZMWVSGYDLFIDHO-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.54
Rot. Bonds6

About N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-methoxyacetamide

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-methoxyacetamide (PubChem CID 71807722) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-methoxyacetamide
PubChem CID71807722
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-methoxyacetamide
SMILESCOCC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H16F3N3O2/c1-20-7-11(19)16-4-5-18-9(8-2-3-8)6-10(17-18)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,19)
InChIKeyZMWVSGYDLFIDHO-UHFFFAOYSA-N
XLogP1.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-methoxyacetamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-methoxyacetamide (CID 71807722) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-methoxyacetamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-methoxyacetamide is COCC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-methoxyacetamide?
The InChIKey is ZMWVSGYDLFIDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-20-7-11(19)16-4-5-18-9(8-2-3-8)6-10(17-18)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,19).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-methoxyacetamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-methoxyacetamide has a molecular weight of 291.27 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-methoxyacetamide is sourced from PubChem (CID 71807722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).