N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide

C8H9F3N2O — CID 126766047

IUPACN,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide
SMILESCN(C)C(=O)c1c[nH]c(C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2O/c1-13(2)7(14)5-3-6(12-4-5)8(9,10)11/h3-4,12H,1-2H3
InChIKeyJESMZJVHUWYMCB-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.74
Rot. Bonds1

About N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide

N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide (PubChem CID 126766047) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide
PubChem CID126766047
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC NameN,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide
SMILESCN(C)C(=O)c1c[nH]c(C(F)(F)F)c1
InChIInChI=1S/C8H9F3N2O/c1-13(2)7(14)5-3-6(12-4-5)8(9,10)11/h3-4,12H,1-2H3
InChIKeyJESMZJVHUWYMCB-UHFFFAOYSA-N
XLogP1.74
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide (CID 126766047) is N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide is CN(C)C(=O)c1c[nH]c(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is JESMZJVHUWYMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-13(2)7(14)5-3-6(12-4-5)8(9,10)11/h3-4,12H,1-2H3.
What are the key properties of N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide?
N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 206.17 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(trifluoromethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 126766047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).