2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one

C14H11ClN4O — CID 164619916

IUPAC2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccc(Cl)nn2)c(=O)c1-c1ccccc1
InChIInChI=1S/C14H11ClN4O/c1-9-13(10-5-3-2-4-6-10)14(20)19(18-9)12-8-7-11(15)16-17-12/h2-8,18H,1H3
InChIKeyCIDRMBKJPBCNJM-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.58
Rot. Bonds2

About 2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one

2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one (PubChem CID 164619916) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one
PubChem CID164619916
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccc(Cl)nn2)c(=O)c1-c1ccccc1
InChIInChI=1S/C14H11ClN4O/c1-9-13(10-5-3-2-4-6-10)14(20)19(18-9)12-8-7-11(15)16-17-12/h2-8,18H,1H3
InChIKeyCIDRMBKJPBCNJM-UHFFFAOYSA-N
XLogP2.58
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
2-(6-Chloropyridazin-3-yl)-4-methyl-1,2-dihydrophthalazin-1-one
CID 6401120
N-[5-(4-Chloro-phenyl)-2H-pyrazol-3-yl]-2-phenyl-acetamide
CID 11056043
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide
CID 794166
3-chloro-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 4326234
2-(6-Chloropyridazin-3-yl)phthalazin-1-one
CID 6401144
2-chloro-6-fluoro-N-[[methyl-(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide
CID 6409884
2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide
CID 154875995
3-chloro-N-{2-[(6-methylpyridazin-3-yl)amino]ethyl}benzamide
CID 44118014
N-(6-chloro-5-phenylpyridazin-3-yl)benzamide
CID 71579985
N-(6-chloropyridazin-3-yl)-3-fluorobenzamide
CID 108461976
US9926282, Example 30
CID 145995140

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one (CID 164619916) is 2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccc(Cl)nn2)c(=O)c1-c1ccccc1.
What is the InChIKey of 2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one?
The InChIKey is CIDRMBKJPBCNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-9-13(10-5-3-2-4-6-10)14(20)19(18-9)12-8-7-11(15)16-17-12/h2-8,18H,1H3.
What are the key properties of 2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one?
2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one has a molecular weight of 286.72 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-3-yl)-5-methyl-4-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 164619916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).