4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

C14H22F3N3O — CID 61110041

IUPAC4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1cc(N)cn1CC
InChIInChI=1S/C14H22F3N3O/c1-4-11(5-2)20(9-14(15,16)17)13(21)12-7-10(18)8-19(12)6-3/h7-8,11H,4-6,9,18H2,1-3H3
InChIKeyZLNGXWWVNKKBEE-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.28
Rot. Bonds6

About 4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (PubChem CID 61110041) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
PubChem CID61110041
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1cc(N)cn1CC
InChIInChI=1S/C14H22F3N3O/c1-4-11(5-2)20(9-14(15,16)17)13(21)12-7-10(18)8-19(12)6-3/h7-8,11H,4-6,9,18H2,1-3H3
InChIKeyZLNGXWWVNKKBEE-UHFFFAOYSA-N
XLogP3.28
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-ethyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrrole-2-carboxamide
CID 61109037
4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 55006736
4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 61107524
4-amino-1-ethyl-N-methyl-N-propylpyrrole-2-carboxamide
CID 43643448
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide
CID 61106069
4-amino-3-fluoro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 62682783
4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43644117
4-amino-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 93254371
4-amino-1-ethyl-N-(2-hydroxypropyl)pyrrole-2-carboxamide
CID 43643619
4-amino-1-ethyl-N-methyl-N-phenylpyrrole-2-carboxamide
CID 43641988
4-amino-1-ethyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 61118691

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (CID 61110041) is 4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)c1cc(N)cn1CC.
What is the InChIKey of 4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The InChIKey is ZLNGXWWVNKKBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-4-11(5-2)20(9-14(15,16)17)13(21)12-7-10(18)8-19(12)6-3/h7-8,11H,4-6,9,18H2,1-3H3.
What are the key properties of 4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 61110041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).