4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide

C11H14BrN5O — CID 80710284

IUPAC4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1ncnn1C
InChIInChI=1S/C11H14BrN5O/c1-7(2)17-5-8(12)4-9(17)10(18)15-11-13-6-14-16(11)3/h4-7H,1-3H3,(H,13,14,15,18)
InChIKeyFQAZGUWRHBQTAB-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.21
Rot. Bonds3

About 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 80710284) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID80710284
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC Name4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1ncnn1C
InChIInChI=1S/C11H14BrN5O/c1-7(2)17-5-8(12)4-9(17)10(18)15-11-13-6-14-16(11)3/h4-7H,1-3H3,(H,13,14,15,18)
InChIKeyFQAZGUWRHBQTAB-UHFFFAOYSA-N
XLogP2.21
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
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CID 60808516
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 103861005
4-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 102979147
4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
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4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79035675
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54877601
N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60954488
4-bromo-N-(5-bromo-2,4-difluorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 80710284) is 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)Nc1ncnn1C.
What is the InChIKey of 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is FQAZGUWRHBQTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c1-7(2)17-5-8(12)4-9(17)10(18)15-11-13-6-14-16(11)3/h4-7H,1-3H3,(H,13,14,15,18).
What are the key properties of 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 312.17 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 80710284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).