1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide

C7H7F3N2O — CID 69132530

IUPAC1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide
SMILESCn1cc(C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C7H7F3N2O/c1-12-2-4(6(11)13)5(3-12)7(8,9)10/h2-3H,1H3,(H2,11,13)
InChIKeyZKMKMMLDHPBJEA-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.14
Rot. Bonds1

About 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide

1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide (PubChem CID 69132530) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide
PubChem CID69132530
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide
SMILESCn1cc(C(N)=O)c(C(F)(F)F)c1
InChIInChI=1S/C7H7F3N2O/c1-12-2-4(6(11)13)5(3-12)7(8,9)10/h2-3H,1H3,(H2,11,13)
InChIKeyZKMKMMLDHPBJEA-UHFFFAOYSA-N
XLogP1.14
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide (CID 69132530) is 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide is Cn1cc(C(N)=O)c(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide?
The InChIKey is ZKMKMMLDHPBJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-12-2-4(6(11)13)5(3-12)7(8,9)10/h2-3H,1H3,(H2,11,13).
What are the key properties of 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide?
1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide has a molecular weight of 192.14 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 69132530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).