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

C17H17ClF3N3O2 — CID 121139594

IUPAC2-(4-chlorophenoxy)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C17H17ClF3N3O2/c18-12-3-5-13(6-4-12)26-10-16(25)22-7-8-24-14(11-1-2-11)9-15(23-24)17(19,20)21/h3-6,9,11H,1-2,7-8,10H2,(H,22,25)
InChIKeySMTQWJWBHHCMNY-UHFFFAOYSA-N
MW387.79 g/mol
LogP3.63
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (PubChem CID 121139594) has the molecular formula C17H17ClF3N3O2 and a molecular weight of 387.79 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
PubChem CID121139594
Molecular FormulaC17H17ClF3N3O2
Molecular Weight387.79 g/mol
Exact Mass387.10
IUPAC Name2-(4-chlorophenoxy)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C17H17ClF3N3O2/c18-12-3-5-13(6-4-12)26-10-16(25)22-7-8-24-14(11-1-2-11)9-15(23-24)17(19,20)21/h3-6,9,11H,1-2,7-8,10H2,(H,22,25)
InChIKeySMTQWJWBHHCMNY-UHFFFAOYSA-N
XLogP3.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121139606
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 121139501
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
CID 121139775
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,6-difluorobenzamide
CID 121139543
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(3-methoxyphenyl)acetamide
CID 121139555
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
CID 19563954
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide
CID 71807723
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea
CID 71807788
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 121139246
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3,4,5-triethoxybenzamide
CID 121139647
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 121139744
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 71807743

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (CID 121139594) is 2-(4-chlorophenoxy)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The InChIKey is SMTQWJWBHHCMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O2/c18-12-3-5-13(6-4-12)26-10-16(25)22-7-8-24-14(11-1-2-11)9-15(23-24)17(19,20)21/h3-6,9,11H,1-2,7-8,10H2,(H,22,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide has a molecular weight of 387.79 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 121139594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).