4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide

C11H15BrN2O2 — CID 114751196

IUPAC4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1(CCO)CC1)c1cc(Br)c[nH]1
InChIInChI=1S/C11H15BrN2O2/c12-8-5-9(13-6-8)10(16)14-7-11(1-2-11)3-4-15/h5-6,13,15H,1-4,7H2,(H,14,16)
InChIKeyRKPIQFZEVRGJQI-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.67
Rot. Bonds5

About 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 114751196) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID114751196
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCC1(CCO)CC1)c1cc(Br)c[nH]1
InChIInChI=1S/C11H15BrN2O2/c12-8-5-9(13-6-8)10(16)14-7-11(1-2-11)3-4-15/h5-6,13,15H,1-4,7H2,(H,14,16)
InChIKeyRKPIQFZEVRGJQI-UHFFFAOYSA-N
XLogP1.67
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-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

4-bromo-N-[(1-methylcyclobutyl)methyl]-1H-pyrrole-2-carboxamide
CID 103737365
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 65124237
3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 104957596
4-bromo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1H-pyrrole-2-carboxamide
CID 36557381
4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 80717603
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 114751786
4-bromo-N-(3-ethyl-2-hydroxypentyl)-1H-pyrrole-2-carboxamide
CID 103658535
4-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-1H-pyrrole-2-carboxamide
CID 103825097
N-[1-(aminomethyl)cyclopentyl]-4-bromo-1H-pyrrole-2-carboxamide
CID 63887592
4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)benzamide
CID 104957576
2-bromo-5-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114750942
4-bromo-N-(2-hydroxy-2-methylpropyl)-1H-pyrrole-2-carboxamide
CID 65111935

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide (CID 114751196) is 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide is O=C(NCC1(CCO)CC1)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is RKPIQFZEVRGJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c12-8-5-9(13-6-8)10(16)14-7-11(1-2-11)3-4-15/h5-6,13,15H,1-4,7H2,(H,14,16).
What are the key properties of 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 114751196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).