4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide

C11H14BrN5O — CID 54878205

IUPAC4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)cn1C)c1nncn1C
InChIInChI=1S/C11H14BrN5O/c1-7(10-15-13-6-17(10)3)14-11(18)9-4-8(12)5-16(9)2/h4-7H,1-3H3,(H,14,18)
InChIKeyKAWZBJSXRZTVLP-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.41
Rot. Bonds3

About 4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide

4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide (PubChem CID 54878205) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide
PubChem CID54878205
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC Name4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Br)cn1C)c1nncn1C
InChIInChI=1S/C11H14BrN5O/c1-7(10-15-13-6-17(10)3)14-11(18)9-4-8(12)5-16(9)2/h4-7H,1-3H3,(H,14,18)
InChIKeyKAWZBJSXRZTVLP-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oroidin
CID 6312649
Hymenidin
CID 6439099
N-[(Z)-3-(2-amino-3-methylimidazol-4-yl)prop-2-enyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 10471474
N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4-bromo-5-methyl-1H-pyrrole-2-carboxamide
CID 145965116
Sventrin
CID 10938301
N-[3-(2-amino-1H-imidazol-5-yl)propyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
CID 10596590
Dihydrosventrin
CID 24853857
4,5-dibromo-N-[2-(1H-imidazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 67062108
N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-1-enyl]-4-bromo-1H-pyrrole-2-carboxamide;hydrochloride
CID 71457638
N-[3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 129487
N-[3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
CID 161831
N-[3-(2-amino-3-methylimidazol-4-yl)prop-2-enyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 70519477

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide (CID 54878205) is 4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide is CC(NC(=O)c1cc(Br)cn1C)c1nncn1C.
What is the InChIKey of 4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide?
The InChIKey is KAWZBJSXRZTVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c1-7(10-15-13-6-17(10)3)14-11(18)9-4-8(12)5-16(9)2/h4-7H,1-3H3,(H,14,18).
What are the key properties of 4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide?
4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide has a molecular weight of 312.17 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 54878205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).