N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,4-dichlorophenoxy)acetamide

C17H16Cl2F3N3O2 — CID 71807765

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C17H16Cl2F3N3O2/c18-11-3-4-14(12(19)7-11)27-9-16(26)23-5-6-25-13(10-1-2-10)8-15(24-25)17(20,21)22/h3-4,7-8,10H,1-2,5-6,9H2,(H,23,26)
InChIKeyYUPNVCDTUABGDQ-UHFFFAOYSA-N
MW422.23 g/mol
LogP4.28
Rot. Bonds7

About N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,4-dichlorophenoxy)acetamide

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 71807765) has the molecular formula C17H16Cl2F3N3O2 and a molecular weight of 422.23 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID71807765
Molecular FormulaC17H16Cl2F3N3O2
Molecular Weight422.23 g/mol
Exact Mass421.06
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C17H16Cl2F3N3O2/c18-11-3-4-14(12(19)7-11)27-9-16(26)23-5-6-25-13(10-1-2-10)8-15(24-25)17(20,21)22/h3-4,7-8,10H,1-2,5-6,9H2,(H,23,26)
InChIKeyYUPNVCDTUABGDQ-UHFFFAOYSA-N
XLogP4.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.23
LogP ≤ 54.28
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-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,4-dichlorophenoxy)acetamide (CID 71807765) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Cl)NCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is YUPNVCDTUABGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2F3N3O2/c18-11-3-4-14(12(19)7-11)27-9-16(26)23-5-6-25-13(10-1-2-10)8-15(24-25)17(20,21)22/h3-4,7-8,10H,1-2,5-6,9H2,(H,23,26).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 422.23 g/mol, XLogP of 4.28, 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-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 71807765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).