N,N,1-trimethyl-5-(trifluoromethyl)pyrrole-2-carboxamide

C9H11F3N2O — CID 166876451

IUPACN,N,1-trimethyl-5-(trifluoromethyl)pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(C(F)(F)F)n1C
InChIInChI=1S/C9H11F3N2O/c1-13(2)8(15)6-4-5-7(14(6)3)9(10,11)12/h4-5H,1-3H3
InChIKeyOTFNRYUIUCHWPK-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.75
Rot. Bonds1

About N,N,1-trimethyl-5-(trifluoromethyl)pyrrole-2-carboxamide

N,N,1-trimethyl-5-(trifluoromethyl)pyrrole-2-carboxamide (PubChem CID 166876451) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is N,N,1-trimethyl-5-(trifluoromethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-5-(trifluoromethyl)pyrrole-2-carboxamide
PubChem CID166876451
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC NameN,N,1-trimethyl-5-(trifluoromethyl)pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1ccc(C(F)(F)F)n1C
InChIInChI=1S/C9H11F3N2O/c1-13(2)8(15)6-4-5-7(14(6)3)9(10,11)12/h4-5H,1-3H3
InChIKeyOTFNRYUIUCHWPK-UHFFFAOYSA-N
XLogP1.75
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,1-dimethyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 16110301
1-Methylpyrrole-2-carboxamide
CID 2379477
N-Isopropyl-1,5-dimethyl-1H-pyrrole-2-carboxamide
CID 40076165
2,2,2-Trifluoro-1-(1-methyl-1H-pyrrol-2-yl)ethanone
CID 9118363
(E)-3-[4-oxo-7-(trifluoromethyl)-9aH-pyrrolo[1,2-a]quinoxalin-1-yl]prop-2-enoic acid
CID 90654193
1-[1-methyl-5-(trifluoromethyl)-1H-pyrrol-2-yl]ethan-1-one
CID 91663008
1,5-Dimethyl-1H-pyrrole-2-carbaldehyde
CID 12280548
5-Methyl-1-(2-methylpropyl)-1H-pyrrole-2-carbaldehyde
CID 53439025
N-(2-fluorophenyl)-1,5-dimethylpyrrole-2-carboxamide
CID 38549752
(4-Ethylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 39949839
5-Fluoro-N,N-dimethyl-1H-pyrrole-2-carboxamide
CID 10866579
ST50988980
CID 3431186

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-5-(trifluoromethyl)pyrrole-2-carboxamide?
The IUPAC name of N,N,1-trimethyl-5-(trifluoromethyl)pyrrole-2-carboxamide (CID 166876451) is N,N,1-trimethyl-5-(trifluoromethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-5-(trifluoromethyl)pyrrole-2-carboxamide?
The canonical SMILES for N,N,1-trimethyl-5-(trifluoromethyl)pyrrole-2-carboxamide is CN(C)C(=O)c1ccc(C(F)(F)F)n1C.
What is the InChIKey of N,N,1-trimethyl-5-(trifluoromethyl)pyrrole-2-carboxamide?
The InChIKey is OTFNRYUIUCHWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-13(2)8(15)6-4-5-7(14(6)3)9(10,11)12/h4-5H,1-3H3.
What are the key properties of N,N,1-trimethyl-5-(trifluoromethyl)pyrrole-2-carboxamide?
N,N,1-trimethyl-5-(trifluoromethyl)pyrrole-2-carboxamide has a molecular weight of 220.19 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-5-(trifluoromethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 166876451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).