(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C15H22BrN3O — CID 43641790

IUPAC(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cc(Br)cn2C2CC2)CC1
InChIInChI=1S/C15H22BrN3O/c1-11(2)17-5-7-18(8-6-17)15(20)14-9-12(16)10-19(14)13-3-4-13/h9-11,13H,3-8H2,1-2H3
InChIKeyWGTNCYFYXXPJOZ-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.75
Rot. Bonds3

About (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 43641790) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID43641790
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cc(Br)cn2C2CC2)CC1
InChIInChI=1S/C15H22BrN3O/c1-11(2)17-5-7-18(8-6-17)15(20)14-9-12(16)10-19(14)13-3-4-13/h9-11,13H,3-8H2,1-2H3
InChIKeyWGTNCYFYXXPJOZ-UHFFFAOYSA-N
XLogP2.75
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43640610
4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperazine-1-sulfonamide
CID 61040589
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60954815
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
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721878
(4-bromo-1-cyclopropylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 43641097
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
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid
CID 43640386
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)imidazolidin-2-one
CID 54877594

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 43641790) is (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cc(Br)cn2C2CC2)CC1.
What is the InChIKey of (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is WGTNCYFYXXPJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-11(2)17-5-7-18(8-6-17)15(20)14-9-12(16)10-19(14)13-3-4-13/h9-11,13H,3-8H2,1-2H3.
What are the key properties of (4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 340.27 g/mol, XLogP of 2.75, 3 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-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 43641790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).