2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one

C11H13ClN4O — CID 62923563

IUPAC2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2c(C)nn(C)c2Cl)n1
InChIInChI=1S/C11H13ClN4O/c1-7-4-5-10(17)16(13-7)6-9-8(2)14-15(3)11(9)12/h4-5H,6H2,1-3H3
InChIKeyWLVSXOLRYXFOOS-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.30
Rot. Bonds2

About 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one (PubChem CID 62923563) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one
PubChem CID62923563
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(Cc2c(C)nn(C)c2Cl)n1
InChIInChI=1S/C11H13ClN4O/c1-7-4-5-10(17)16(13-7)6-9-8(2)14-15(3)11(9)12/h4-5H,6H2,1-3H3
InChIKeyWLVSXOLRYXFOOS-UHFFFAOYSA-N
XLogP1.30
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one
CID 60796215
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 54918458
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3,4,5-trimethylpyrazole
CID 61226930
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrimidine-2,4-dione
CID 63800345
6-methyl-2-propylpyridazin-3-one
CID 12504076
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-6-methylpyridazin-3-one
CID 80664851
2-[(2-chloro-4-pyridinyl)methyl]-6-methylpyridazin-3-one
CID 62923727
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 103223738
5-(2-aminoethoxy)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103222890
5-[2-aminoethyl(methyl)amino]-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridazin-3-one
CID 103223526
2-[(5-amino-2-chlorophenyl)methyl]-6-methylpyridazin-3-one
CID 62922692
ethene;2-ethyl-6-methylpyridazin-3-one
CID 159533733

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one (CID 62923563) is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(Cc2c(C)nn(C)c2Cl)n1.
What is the InChIKey of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one?
The InChIKey is WLVSXOLRYXFOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-7-4-5-10(17)16(13-7)6-9-8(2)14-15(3)11(9)12/h4-5H,6H2,1-3H3.
What are the key properties of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one?
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one has a molecular weight of 252.70 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 62923563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).