4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide

C12H17BrN2O — CID 62408221

IUPAC4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NC1CC1C
InChIInChI=1S/C12H17BrN2O/c1-3-4-15-7-9(13)6-11(15)12(16)14-10-5-8(10)2/h6-8,10H,3-5H2,1-2H3,(H,14,16)
InChIKeyMMMDYQZCQZJPIS-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.80
Rot. Bonds4

About 4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide

4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide (PubChem CID 62408221) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide
PubChem CID62408221
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NC1CC1C
InChIInChI=1S/C12H17BrN2O/c1-3-4-15-7-9(13)6-11(15)12(16)14-10-5-8(10)2/h6-8,10H,3-5H2,1-2H3,(H,14,16)
InChIKeyMMMDYQZCQZJPIS-UHFFFAOYSA-N
XLogP2.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64814721
4-bromo-1-methyl-N-(2-methylcyclopropyl)pyrrole-2-carboxamide
CID 62408030
4-bromo-1-ethyl-N-(2-methylcyclopentyl)pyrrole-2-carboxamide
CID 63281523
4-bromo-N-(4-carbamoylcyclohexyl)-1-propylpyrrole-2-carboxamide
CID 60955169
4-bromo-N-(1-cyclopropylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide
CID 60956002
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-bromo-N-(2-methylcyclopropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 62408223
4-bromo-N-[(2-methylpropan-2-yl)oxy]-1-propylpyrrole-2-carboxamide
CID 107857541
4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide
CID 61170021
4-bromo-1-ethyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965
4-bromo-N-piperidin-1-yl-1-propylpyrrole-2-carboxamide
CID 83017011
4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 61242007

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide (CID 62408221) is 4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NC1CC1C.
What is the InChIKey of 4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is MMMDYQZCQZJPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-4-15-7-9(13)6-11(15)12(16)14-10-5-8(10)2/h6-8,10H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide?
4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 285.19 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 62408221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).