4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide

C10H14F3N3O — CID 63228692

IUPAC4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCCC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-2-16-6-7(14)5-8(16)9(17)15-4-3-10(11,12)13/h5-6H,2-4,14H2,1H3,(H,15,17)
InChIKeyIEPRPEVWUWKVNU-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.77
Rot. Bonds4

About 4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide

4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide (PubChem CID 63228692) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
PubChem CID63228692
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCCC(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-2-16-6-7(14)5-8(16)9(17)15-4-3-10(11,12)13/h5-6H,2-4,14H2,1H3,(H,15,17)
InChIKeyIEPRPEVWUWKVNU-UHFFFAOYSA-N
XLogP1.77
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide (CID 63228692) is 4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCCC(F)(F)F.
What is the InChIKey of 4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide?
The InChIKey is IEPRPEVWUWKVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-2-16-6-7(14)5-8(16)9(17)15-4-3-10(11,12)13/h5-6H,2-4,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide has a molecular weight of 249.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 63228692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).