N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H16F3N3O — CID 106390785

IUPACN-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCn1ccc(CNC(=O)C2(C(F)(F)F)CCNC2)c1
InChIInChI=1S/C12H16F3N3O/c1-18-5-2-9(7-18)6-17-10(19)11(12(13,14)15)3-4-16-8-11/h2,5,7,16H,3-4,6,8H2,1H3,(H,17,19)
InChIKeyVTKXVYGRHNOALL-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.18
Rot. Bonds3

About N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 106390785) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID106390785
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCn1ccc(CNC(=O)C2(C(F)(F)F)CCNC2)c1
InChIInChI=1S/C12H16F3N3O/c1-18-5-2-9(7-18)6-17-10(19)11(12(13,14)15)3-4-16-8-11/h2,5,7,16H,3-4,6,8H2,1H3,(H,17,19)
InChIKeyVTKXVYGRHNOALL-UHFFFAOYSA-N
XLogP1.18
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708573
N-[2-(1-methylpyrazol-3-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106105031
N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106390774
N-(furan-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710906
N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79362855
N-(pyridazin-3-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106896124
1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide
CID 106390779
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxamide
CID 107231126
N-(1-methyl-6-oxo-3-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710039
N-butyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710909
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
N-(2-imidazol-1-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710927

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 106390785) is N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cn1ccc(CNC(=O)C2(C(F)(F)F)CCNC2)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is VTKXVYGRHNOALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-18-5-2-9(7-18)6-17-10(19)11(12(13,14)15)3-4-16-8-11/h2,5,7,16H,3-4,6,8H2,1H3,(H,17,19).
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106390785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).