4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

C12H16F3N3O — CID 55006736

IUPAC4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H16F3N3O/c1-2-17-6-8(16)5-10(17)11(19)18(9-3-4-9)7-12(13,14)15/h5-6,9H,2-4,7,16H2,1H3
InChIKeyGMQBMDZDVZVJJZ-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.26
Rot. Bonds4

About 4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide

4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (PubChem CID 55006736) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
PubChem CID55006736
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H16F3N3O/c1-2-17-6-8(16)5-10(17)11(19)18(9-3-4-9)7-12(13,14)15/h5-6,9H,2-4,7,16H2,1H3
InChIKeyGMQBMDZDVZVJJZ-UHFFFAOYSA-N
XLogP2.26
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-butyl-N-cyclopropyl-1-ethylpyrrole-2-carboxamide
CID 61107485
ethyl 2-[(4-amino-1-ethylpyrrole-2-carbonyl)-cyclopropylamino]acetate
CID 61114978
4-amino-1-ethyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 61118691
4-amino-1-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 61110041
4-amino-N-cyclopropyl-N,1-dipropylpyrrole-2-carboxamide
CID 43643445
4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43644117
4-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 61107524
4-amino-N-cyclopropyl-1-ethyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 61433686
4-amino-1-ethyl-N-methyl-N-(2-methylcyclohexyl)pyrrole-2-carboxamide
CID 61104997
4-amino-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43648411
4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106234
4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide
CID 61125746

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide (CID 55006736) is 4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
The InChIKey is GMQBMDZDVZVJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-2-17-6-8(16)5-10(17)11(19)18(9-3-4-9)7-12(13,14)15/h5-6,9H,2-4,7,16H2,1H3.
What are the key properties of 4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide?
4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 55006736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).