1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide

C11H13F2N5O2 — CID 114609996

IUPAC1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
SMILESCCOc1n[nH]c(NC(=O)c2cccn2CC(F)F)n1
InChIInChI=1S/C11H13F2N5O2/c1-2-20-11-15-10(16-17-11)14-9(19)7-4-3-5-18(7)6-8(12)13/h3-5,8H,2,6H2,1H3,(H2,14,15,16,17,19)
InChIKeyNDWVLQLYAZLIDV-UHFFFAOYSA-N
MW285.25 g/mol
LogP1.52
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide

1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide (PubChem CID 114609996) has the molecular formula C11H13F2N5O2 and a molecular weight of 285.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
PubChem CID114609996
Molecular FormulaC11H13F2N5O2
Molecular Weight285.25 g/mol
Exact Mass285.10
IUPAC Name1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
SMILESCCOc1n[nH]c(NC(=O)c2cccn2CC(F)F)n1
InChIInChI=1S/C11H13F2N5O2/c1-2-20-11-15-10(16-17-11)14-9(19)7-4-3-5-18(7)6-8(12)13/h3-5,8H,2,6H2,1H3,(H2,14,15,16,17,19)
InChIKeyNDWVLQLYAZLIDV-UHFFFAOYSA-N
XLogP1.52
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 104817829
3-(difluoromethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-fluorobenzamide
CID 138024221
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 104818159
4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 104817061
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3,4-trifluorobenzamide
CID 104818343
4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 113456488
2-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methylbenzamide
CID 104818354
4-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzene-1,4-dicarboxamide
CID 104818136
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 83102385
N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 103094486
2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817090
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817083

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide (CID 114609996) is 1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide is CCOc1n[nH]c(NC(=O)c2cccn2CC(F)F)n1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide?
The InChIKey is NDWVLQLYAZLIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N5O2/c1-2-20-11-15-10(16-17-11)14-9(19)7-4-3-5-18(7)6-8(12)13/h3-5,8H,2,6H2,1H3,(H2,14,15,16,17,19).
What are the key properties of 1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide?
1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide has a molecular weight of 285.25 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 114609996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).