4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one

C17H13Cl2F2N3O2 — CID 162436941

IUPAC4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one
SMILESCOc1cc(F)c(-c2c(N)c(=O)n(-c3cccc(Cl)c3Cl)n2C)c(F)c1
InChIInChI=1S/C17H13Cl2F2N3O2/c1-23-16(13-10(20)6-8(26-2)7-11(13)21)15(22)17(25)24(23)12-5-3-4-9(18)14(12)19/h3-7H,22H2,1-2H3
InChIKeyNWBYAJFMJDBKND-UHFFFAOYSA-N
MW400.21 g/mol
LogP4.02
Rot. Bonds3

About 4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one

4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one (PubChem CID 162436941) has the molecular formula C17H13Cl2F2N3O2 and a molecular weight of 400.21 g/mol. Its IUPAC name is 4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one
PubChem CID162436941
Molecular FormulaC17H13Cl2F2N3O2
Molecular Weight400.21 g/mol
Exact Mass399.04
IUPAC Name4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one
SMILESCOc1cc(F)c(-c2c(N)c(=O)n(-c3cccc(Cl)c3Cl)n2C)c(F)c1
InChIInChI=1S/C17H13Cl2F2N3O2/c1-23-16(13-10(20)6-8(26-2)7-11(13)21)15(22)17(25)24(23)12-5-3-4-9(18)14(12)19/h3-7H,22H2,1-2H3
InChIKeyNWBYAJFMJDBKND-UHFFFAOYSA-N
XLogP4.02
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.21
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-chloro-2-fluorophenyl)-3-(2,6-difluoro-4-methoxyphenyl)-2-methyl-5-oxopyrazol-4-yl]-4-(difluoromethoxy)benzamide
CID 162437170
3-chloro-2-N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,2-diamine
CID 137458325
4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-3-oxo-2-phenylpyrazol-4-yl]benzamide
CID 175848072
4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 165389177
1-(2,3-dichlorophenyl)-1-(2,6-difluoro-4-methoxyphenyl)-N-methylmethanamine
CID 60966548
5-(2,6-difluoro-4-methoxyphenyl)-2-[6-[(1-hydroxy-2-methylpropan-2-yl)amino]-3-(trifluoromethyl)-2-pyridinyl]-1,4-dimethylpyrazol-3-one
CID 166937021
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
5-(2-chloro-3-fluorophenyl)-1-(2,6-dichlorophenyl)-7-methoxy-3,4-dihydroquinazolin-2-one
CID 22648152
2-chloro-1-(4-chlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-4-methylimidazole
CID 66897236
4-(difluoromethoxy)-2-[5-(2,6-difluoro-4-methoxyphenyl)-1-methyl-2-[6-methylsulfanyl-3-(trifluoromethyl)-2-pyridinyl]-3-oxopyrazol-4-yl]benzamide
CID 175848197
5-(2-chlorophenyl)-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one
CID 142452805
(2-fluoro-4-methoxyphenyl)methyl 2-amino-3-chlorobenzoate
CID 102878422

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one?
The IUPAC name of 4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one (CID 162436941) is 4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one?
The canonical SMILES for 4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one is COc1cc(F)c(-c2c(N)c(=O)n(-c3cccc(Cl)c3Cl)n2C)c(F)c1.
What is the InChIKey of 4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one?
The InChIKey is NWBYAJFMJDBKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F2N3O2/c1-23-16(13-10(20)6-8(26-2)7-11(13)21)15(22)17(25)24(23)12-5-3-4-9(18)14(12)19/h3-7H,22H2,1-2H3.
What are the key properties of 4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one?
4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one has a molecular weight of 400.21 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,3-dichlorophenyl)-5-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazol-3-one is sourced from PubChem (CID 162436941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).