(4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone

C14H9Br2N3O — CID 114641900

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone
SMILESCn1ncc(Br)c1C(=O)c1nc2ccccc2cc1Br
InChIInChI=1S/C14H9Br2N3O/c1-19-13(10(16)7-17-19)14(20)12-9(15)6-8-4-2-3-5-11(8)18-12/h2-7H,1H3
InChIKeyZACIAAOKQQLBDK-UHFFFAOYSA-N
MW395.05 g/mol
LogP3.72
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone

(4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone (PubChem CID 114641900) has the molecular formula C14H9Br2N3O and a molecular weight of 395.05 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone
PubChem CID114641900
Molecular FormulaC14H9Br2N3O
Molecular Weight395.05 g/mol
Exact Mass392.91
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone
SMILESCn1ncc(Br)c1C(=O)c1nc2ccccc2cc1Br
InChIInChI=1S/C14H9Br2N3O/c1-19-13(10(16)7-17-19)14(20)12-9(15)6-8-4-2-3-5-11(8)18-12/h2-7H,1H3
InChIKeyZACIAAOKQQLBDK-UHFFFAOYSA-N
XLogP3.72
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.05
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877543
(3-bromoquinolin-2-yl)-(3-fluoro-4-pyridinyl)methanone
CID 104737946
(3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone
CID 107559916
(4-bromo-1-methylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanone
CID 115814986
(2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114642162
(4-amino-3-bromophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114669784
(4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone
CID 105135299
1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylethanone
CID 114638939
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-bromophenyl)ethanone
CID 114639897
(3-bromoquinolin-2-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 113370510
(4-bromo-1-methylpyrazol-5-yl)-(3-propan-2-yloxyphenyl)methanone
CID 115815063
(4-bromo-1-propan-2-ylpyrazol-5-yl)-quinolin-2-ylmethanone
CID 114640099

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone (CID 114641900) is (4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone is Cn1ncc(Br)c1C(=O)c1nc2ccccc2cc1Br.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone?
The InChIKey is ZACIAAOKQQLBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O/c1-19-13(10(16)7-17-19)14(20)12-9(15)6-8-4-2-3-5-11(8)18-12/h2-7H,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone?
(4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone has a molecular weight of 395.05 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone is sourced from PubChem (CID 114641900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).