(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone

C13H18BrN3O — CID 43640610

IUPAC(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(Br)cn2C2CC2)CC1
InChIInChI=1S/C13H18BrN3O/c1-15-4-6-16(7-5-15)13(18)12-8-10(14)9-17(12)11-2-3-11/h8-9,11H,2-7H2,1H3
InChIKeyCKNSLXJMZJSHGF-UHFFFAOYSA-N
MW312.21 g/mol
LogP1.97
Rot. Bonds2

About (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone

(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 43640610) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID43640610
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(Br)cn2C2CC2)CC1
InChIInChI=1S/C13H18BrN3O/c1-15-4-6-16(7-5-15)13(18)12-8-10(14)9-17(12)11-2-3-11/h8-9,11H,2-7H2,1H3
InChIKeyCKNSLXJMZJSHGF-UHFFFAOYSA-N
XLogP1.97
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43641790
4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide
CID 61040589
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 60954913
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63161481
(4-bromo-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 43641097
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721878
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxamide
CID 43640964
(4-bromo-1-cyclopropylpyrrol-2-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64576589
1-[4-(4-amino-1-cyclopropylpyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 43642310
(4-bromo-1-cyclopropylpyrrol-2-yl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 60956009
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one
CID 54877594
(4-bromo-1-cyclopropylpyrrol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203683

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 43640610) is (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc(Br)cn2C2CC2)CC1.
What is the InChIKey of (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is CKNSLXJMZJSHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-15-4-6-16(7-5-15)13(18)12-8-10(14)9-17(12)11-2-3-11/h8-9,11H,2-7H2,1H3.
What are the key properties of (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 312.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 43640610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).