4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide

C12H12BrClN4O — CID 115666662

IUPAC4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C12H12BrClN4O/c1-7(2)18-6-8(13)5-9(18)12(19)15-11-4-3-10(14)16-17-11/h3-7H,1-2H3,(H,15,17,19)
InChIKeyOYCNLEISEWRDHX-UHFFFAOYSA-N
MW343.61 g/mol
LogP3.53
Rot. Bonds3

About 4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 115666662) has the molecular formula C12H12BrClN4O and a molecular weight of 343.61 g/mol. Its IUPAC name is 4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID115666662
Molecular FormulaC12H12BrClN4O
Molecular Weight343.61 g/mol
Exact Mass341.99
IUPAC Name4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1ccc(Cl)nn1
InChIInChI=1S/C12H12BrClN4O/c1-7(2)18-6-8(13)5-9(18)12(19)15-11-4-3-10(14)16-17-11/h3-7H,1-2H3,(H,15,17,19)
InChIKeyOYCNLEISEWRDHX-UHFFFAOYSA-N
XLogP3.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 115666662) is 4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)Nc1ccc(Cl)nn1.
What is the InChIKey of 4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is OYCNLEISEWRDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O/c1-7(2)18-6-8(13)5-9(18)12(19)15-11-4-3-10(14)16-17-11/h3-7H,1-2H3,(H,15,17,19).
What are the key properties of 4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 343.61 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-chloropyridazin-3-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 115666662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).