2-[[2-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid

C17H13Cl2N3O2 — CID 2727741

IUPAC2-[[2-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid
SMILESCc1cc(Nc2ccccc2C(=O)O)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C17H13Cl2N3O2/c1-10-9-15(20-14-8-3-2-5-11(14)17(23)24)22(21-10)16-12(18)6-4-7-13(16)19/h2-9,20H,1H3,(H,23,24)
InChIKeyIMZIUMKYKLZZFT-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.93
Rot. Bonds4

About 2-[[2-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid

2-[[2-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid (PubChem CID 2727741) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 2-[[2-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid
PubChem CID2727741
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name2-[[2-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid
SMILESCc1cc(Nc2ccccc2C(=O)O)n(-c2c(Cl)cccc2Cl)n1
InChIInChI=1S/C17H13Cl2N3O2/c1-10-9-15(20-14-8-3-2-5-11(14)17(23)24)22(21-10)16-12(18)6-4-7-13(16)19/h2-9,20H,1H3,(H,23,24)
InChIKeyIMZIUMKYKLZZFT-UHFFFAOYSA-N
XLogP4.93
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((1-(3-Chlorophenyl)-3-methyl-1H-pyrazol-5-yl)amino)benzoic acid
CID 2727740
Fto-IN-7
CID 148456336
N-(1,3-Dimethyl-5-pyrazolyl)anthranilic acid
CID 615796
4-(5-Anilino-3-methylpyrazol-1-yl)benzoic acid
CID 2381081
2-{[3-methyl-1-(4-nitrophenyl)-1H-pyrazol-5-yl]amino}benzoic acid
CID 2727742
4-[3-(2,6-Dichloroanilino)indazol-1-yl]benzoic acid
CID 134146033
2-(5-amino-3-methyl-1H-pyrazol-1-yl)benzoic acid
CID 700538
4-[3-(2,6-dichloro-N-methylanilino)indazol-1-yl]benzoic acid
CID 134153013
2-(5-Anilino-3-methylpyrazol-1-yl)benzoic acid
CID 2381421
2-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]benzoic acid
CID 2727736
2-[2,6-Dichloro-4-(3,5-dimethylpyrazol-1-yl)anilino]benzoic acid
CID 152798747
Methyl 2-[[2-(2,5-dimethylphenyl)-4,5-dimethylpyrazol-3-yl]amino]benzoate
CID 163663116

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid?
The IUPAC name of 2-[[2-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid (CID 2727741) is 2-[[2-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid is Cc1cc(Nc2ccccc2C(=O)O)n(-c2c(Cl)cccc2Cl)n1.
What is the InChIKey of 2-[[2-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid?
The InChIKey is IMZIUMKYKLZZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c1-10-9-15(20-14-8-3-2-5-11(14)17(23)24)22(21-10)16-12(18)6-4-7-13(16)19/h2-9,20H,1H3,(H,23,24).
What are the key properties of 2-[[2-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid?
2-[[2-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid has a molecular weight of 362.22 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dichlorophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid is sourced from PubChem (CID 2727741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).