2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C12H16F3N3O — CID 66406381

IUPAC2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ccc(CNC2CC2)c1)NCC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)8-17-11(19)7-18-4-3-9(6-18)5-16-10-1-2-10/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,19)
InChIKeyPMMHZVBRWUJSIT-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.42
Rot. Bonds6

About 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66406381) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66406381
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ccc(CNC2CC2)c1)NCC(F)(F)F
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)8-17-11(19)7-18-4-3-9(6-18)5-16-10-1-2-10/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,19)
InChIKeyPMMHZVBRWUJSIT-UHFFFAOYSA-N
XLogP1.42
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-2-(1H-pyrrol-1-yl)acetamide
CID 3239634
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 75394161
N-cyclopropyl-3-pyrrol-1-ylpropanamide
CID 45106935
2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide
CID 71980029
1-[(1-Amino-3-pyrrol-1-ylpropan-2-yl)amino]-5,5,5-trifluoropent-3-en-2-one
CID 67842886
2,2,2-trifluoro-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 106385167
N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]propan-2-amine
CID 137430400
(2R)-N-cyclopentyl-4,4,4-trifluoro-2-(1H-pyrrol-3-ylmethylamino)butanamide
CID 141284199
1-(1-Methylpyrrol-3-yl)-3-(propan-2-ylamino)-5-(trifluoromethyl)pyridin-2-one
CID 154605285
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopropylpyrrole-3-carboxamide
CID 154989030
N-[(1-ethyl-2-fluoropyrrol-3-yl)methyl]-2,2-dimethylpropanamide
CID 169041056
N,3-dimethyl-2-pyrrol-1-ylbutanamide
CID 176433291

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 66406381) is 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1ccc(CNC2CC2)c1)NCC(F)(F)F.
What is the InChIKey of 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PMMHZVBRWUJSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)8-17-11(19)7-18-4-3-9(6-18)5-16-10-1-2-10/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,19).
What are the key properties of 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 275.27 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66406381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).