4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide

C12H17BrN2O — CID 43641522

IUPAC4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide
SMILESCCCN(C)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C12H17BrN2O/c1-3-6-14(2)12(16)11-7-9(13)8-15(11)10-4-5-10/h7-8,10H,3-6H2,1-2H3
InChIKeyAHOMVTFNOXFKHX-UHFFFAOYSA-N
MW285.19 g/mol
LogP3.07
Rot. Bonds4

About 4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide (PubChem CID 43641522) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide
PubChem CID43641522
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide
SMILESCCCN(C)C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C12H17BrN2O/c1-3-6-14(2)12(16)11-7-9(13)8-15(11)10-4-5-10/h7-8,10H,3-6H2,1-2H3
InChIKeyAHOMVTFNOXFKHX-UHFFFAOYSA-N
XLogP3.07
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 115318950
4-bromo-1-cyclopropyl-N-[2-(ethylamino)-2-oxoethyl]-N-methylpyrrole-2-carboxamide
CID 60954319
4-bromo-1-cyclopropyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrole-2-carboxamide
CID 114949558
4-bromo-1-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 60960256
4-bromo-1-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrole-2-carboxamide
CID 55012077
4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43641731
4-bromo-1-cyclopropyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 60955272
4-bromo-1-cyclopropyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrole-2-carboxamide
CID 79318654
4-bromo-1-cyclopropyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
CID 106915735
4-bromo-N-[(5-bromofuran-2-yl)methyl]-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 60954974
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423972
N-(2-amino-1-cyclopropylethyl)-4-bromo-1-cyclopropyl-N-methylpyrrole-2-carboxamide
CID 116652025

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide (CID 43641522) is 4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide is CCCN(C)C(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide?
The InChIKey is AHOMVTFNOXFKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-6-14(2)12(16)11-7-9(13)8-15(11)10-4-5-10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide has a molecular weight of 285.19 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-methyl-N-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43641522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).