4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one

C16H16BrN5O — CID 133303721

IUPAC4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one
SMILESCn1ncc(NCc2cccc(Cn3cccn3)c2)c(Br)c1=O
InChIInChI=1S/C16H16BrN5O/c1-21-16(23)15(17)14(10-20-21)18-9-12-4-2-5-13(8-12)11-22-7-3-6-19-22/h2-8,10,18H,9,11H2,1H3
InChIKeyNSNQTCFWNJQVJA-UHFFFAOYSA-N
MW374.24 g/mol
LogP2.40
Rot. Bonds5

About 4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one

4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one (PubChem CID 133303721) has the molecular formula C16H16BrN5O and a molecular weight of 374.24 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one
PubChem CID133303721
Molecular FormulaC16H16BrN5O
Molecular Weight374.24 g/mol
Exact Mass373.05
IUPAC Name4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one
SMILESCn1ncc(NCc2cccc(Cn3cccn3)c2)c(Br)c1=O
InChIInChI=1S/C16H16BrN5O/c1-21-16(23)15(17)14(10-20-21)18-9-12-4-2-5-13(8-12)11-22-7-3-6-19-22/h2-8,10,18H,9,11H2,1H3
InChIKeyNSNQTCFWNJQVJA-UHFFFAOYSA-N
XLogP2.40
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]-2-methylpyridazin-3-one
CID 133303737
4-bromo-2-methyl-5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyridazin-3-one
CID 133303303
3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide
CID 133303380
1-[3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]phenyl]-3-(3-methylphenyl)urea
CID 133303650
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125
N-[3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 133303678
4-bromo-5-[(3-ethyl-2-pyridinyl)methylamino]-2-methylpyridazin-3-one
CID 114440933
4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114432815
6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 133313975
4-bromo-5-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methylamino]-2-methylpyridazin-3-one
CID 133303823
4-bromo-5-[(5-ethylthiophen-2-yl)methylamino]-2-methylpyridazin-3-one
CID 113235061
4-bromo-5-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 133303824

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one (CID 133303721) is 4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one is Cn1ncc(NCc2cccc(Cn3cccn3)c2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one?
The InChIKey is NSNQTCFWNJQVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5O/c1-21-16(23)15(17)14(10-20-21)18-9-12-4-2-5-13(8-12)11-22-7-3-6-19-22/h2-8,10,18H,9,11H2,1H3.
What are the key properties of 4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one?
4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one has a molecular weight of 374.24 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one is sourced from PubChem (CID 133303721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).