N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

C17H20F3N5O2 — CID 126776643

IUPACN-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCCC1c1nncn1C
InChIInChI=1S/C17H20F3N5O2/c1-3-27-14-7-6-11(17(18,19)20)9-12(14)22-16(26)25-8-4-5-13(25)15-23-21-10-24(15)2/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,22,26)
InChIKeyXPYASOGJJVGKLP-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.60
Rot. Bonds4

About N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 126776643) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID126776643
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC NameN-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCCC1c1nncn1C
InChIInChI=1S/C17H20F3N5O2/c1-3-27-14-7-6-11(17(18,19)20)9-12(14)22-16(26)25-8-4-5-13(25)15-23-21-10-24(15)2/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,22,26)
InChIKeyXPYASOGJJVGKLP-UHFFFAOYSA-N
XLogP3.60
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 126788566
N-(5-chloro-2-propoxyphenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 126794752
(3R)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 111431517
3-cyclopentylsulfonyl-N-[2-ethoxy-5-(trifluoromethyl)phenyl]propanamide
CID 47728241
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856655
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47073756
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47749828
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747134
(2S)-N-[(2S)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 124735946

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (CID 126776643) is N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is CCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCCC1c1nncn1C.
What is the InChIKey of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is XPYASOGJJVGKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-3-27-14-7-6-11(17(18,19)20)9-12(14)22-16(26)25-8-4-5-13(25)15-23-21-10-24(15)2/h6-7,9-10,13H,3-5,8H2,1-2H3,(H,22,26).
What are the key properties of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 383.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126776643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).