(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone

C11H10BrN3O — CID 114877543

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)c1c(Br)cnn1C
InChIInChI=1S/C11H10BrN3O/c1-7-3-4-13-5-8(7)11(16)10-9(12)6-14-15(10)2/h3-6H,1-2H3
InChIKeyVQBHLUBEVYSXLT-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.12
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone

(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone (PubChem CID 114877543) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
PubChem CID114877543
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)c1c(Br)cnn1C
InChIInChI=1S/C11H10BrN3O/c1-7-3-4-13-5-8(7)11(16)10-9(12)6-14-15(10)2/h3-6H,1-2H3
InChIKeyVQBHLUBEVYSXLT-UHFFFAOYSA-N
XLogP2.12
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(2-chloro-3-methylphenyl)methanone
CID 115814983
(5-bromo-4-methyl-3-pyridinyl)-(4-methyl-3-pyridinyl)methanone
CID 75406822
(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115815019
(4-bromo-1-methylpyrazol-5-yl)-pyridazin-4-ylmethanone
CID 105135299
(2-amino-5-fluorophenyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
CID 114642162
(2-bromo-4-chlorophenyl)-(4-methyl-3-pyridinyl)methanone
CID 107996490
(4-bromo-1-methylpyrazol-5-yl)-(3-bromoquinolin-2-yl)methanone
CID 114641900
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877609
(4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone
CID 105132628
(4-bromo-1-methylpyrazol-5-yl)-(4-methoxy-3-methylphenyl)methanone
CID 114641952
(4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone
CID 114877527
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone (CID 114877543) is (4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone is Cc1ccncc1C(=O)c1c(Br)cnn1C.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone?
The InChIKey is VQBHLUBEVYSXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-7-3-4-13-5-8(7)11(16)10-9(12)6-14-15(10)2/h3-6H,1-2H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone?
(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone has a molecular weight of 280.12 g/mol, XLogP of 2.12, 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)-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 114877543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).