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

C13H18F3N3O2 — CID 121139506

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C13H18F3N3O2/c1-2-21-8-12(20)17-5-6-19-10(9-3-4-9)7-11(18-19)13(14,15)16/h7,9H,2-6,8H2,1H3,(H,17,20)
InChIKeyOLTPRTPXHGXMDF-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.93
Rot. Bonds7

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

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-ethoxyacetamide (PubChem CID 121139506) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-ethoxyacetamide
PubChem CID121139506
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C13H18F3N3O2/c1-2-21-8-12(20)17-5-6-19-10(9-3-4-9)7-11(18-19)13(14,15)16/h7,9H,2-6,8H2,1H3,(H,17,20)
InChIKeyOLTPRTPXHGXMDF-UHFFFAOYSA-N
XLogP1.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.93
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-ethoxyacetamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-ethoxyacetamide (CID 121139506) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-ethoxyacetamide is CCOCC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-ethoxyacetamide?
The InChIKey is OLTPRTPXHGXMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-2-21-8-12(20)17-5-6-19-10(9-3-4-9)7-11(18-19)13(14,15)16/h7,9H,2-6,8H2,1H3,(H,17,20).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-ethoxyacetamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-ethoxyacetamide has a molecular weight of 305.30 g/mol, XLogP of 1.93, 7 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-ethoxyacetamide is sourced from PubChem (CID 121139506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).