4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide

C10H12BrN5O2 — CID 113456488

IUPAC4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
SMILESCCOc1n[nH]c(NC(=O)c2cc(Br)cn2C)n1
InChIInChI=1S/C10H12BrN5O2/c1-3-18-10-13-9(14-15-10)12-8(17)7-4-6(11)5-16(7)2/h4-5H,3H2,1-2H3,(H2,12,13,14,15,17)
InChIKeyCIXUVKCJSPFLBW-UHFFFAOYSA-N
MW314.14 g/mol
LogP1.56
Rot. Bonds4

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

4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 113456488) has the molecular formula C10H12BrN5O2 and a molecular weight of 314.14 g/mol. Its IUPAC name is 4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
PubChem CID113456488
Molecular FormulaC10H12BrN5O2
Molecular Weight314.14 g/mol
Exact Mass313.02
IUPAC Name4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
SMILESCCOc1n[nH]c(NC(=O)c2cc(Br)cn2C)n1
InChIInChI=1S/C10H12BrN5O2/c1-3-18-10-13-9(14-15-10)12-8(17)7-4-6(11)5-16(7)2/h4-5H,3H2,1-2H3,(H2,12,13,14,15,17)
InChIKeyCIXUVKCJSPFLBW-UHFFFAOYSA-N
XLogP1.56
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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)-1-propan-2-ylpyrrole-2-carboxamide
CID 104817829
1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
CID 114609996
4-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzene-1,4-dicarboxamide
CID 104818136
2-(3-bromophenoxy)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 104817589
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 104818159
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide
CID 104817809
3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide
CID 104817447
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817083
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-iodothiophene-3-carboxamide
CID 104818342
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2,3,4-trifluorobenzamide
CID 104818343
2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817090

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide (CID 113456488) is 4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide is CCOc1n[nH]c(NC(=O)c2cc(Br)cn2C)n1.
What is the InChIKey of 4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is CIXUVKCJSPFLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O2/c1-3-18-10-13-9(14-15-10)12-8(17)7-4-6(11)5-16(7)2/h4-5H,3H2,1-2H3,(H2,12,13,14,15,17).
What are the key properties of 4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide?
4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 314.14 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 113456488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).