2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid

C20H17Cl2N3O3 — CID 24748688

IUPAC2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
SMILESCc1ccc(-c2c(C)c(C(=O)NCC(=O)O)nn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H17Cl2N3O3/c1-11-3-5-13(6-4-11)19-12(2)18(20(28)23-10-17(26)27)24-25(19)16-8-7-14(21)9-15(16)22/h3-9H,10H2,1-2H3,(H,23,28)(H,26,27)
InChIKeyWSKQDWAPVUYNDV-UHFFFAOYSA-N
MW418.28 g/mol
LogP4.28
Rot. Bonds5

About 2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid

2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid (PubChem CID 24748688) has the molecular formula C20H17Cl2N3O3 and a molecular weight of 418.28 g/mol. Its IUPAC name is 2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
PubChem CID24748688
Molecular FormulaC20H17Cl2N3O3
Molecular Weight418.28 g/mol
Exact Mass417.06
IUPAC Name2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
SMILESCc1ccc(-c2c(C)c(C(=O)NCC(=O)O)nn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H17Cl2N3O3/c1-11-3-5-13(6-4-11)19-12(2)18(20(28)23-10-17(26)27)24-25(19)16-8-7-14(21)9-15(16)22/h3-9H,10H2,1-2H3,(H,23,28)(H,26,27)
InChIKeyWSKQDWAPVUYNDV-UHFFFAOYSA-N
XLogP4.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide
CID 59703686
2-[[1-(2-chloro-4-methylphenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carbonyl]amino]acetic acid
CID 24748188
N-(aminomethyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 69235606
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbohydrazide;ethane
CID 143858232
N-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 11102177
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxypropyl)-4-methylpyrazole-3-carboxamide
CID 10884669
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexadecyl-4-methylpyrazole-3-carboxamide
CID 44588401
N-(benzylcarbamoyl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 25158723
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylpyrazole-3-carboxamide
CID 146001161
5-[[1-(4-chloro-2-methylphenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid
CID 24748077
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[3-(diethylamino)propyl]-4-methylpyrazole-3-carboxamide
CID 129010774
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 66844170

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid (CID 24748688) is 2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid is Cc1ccc(-c2c(C)c(C(=O)NCC(=O)O)nn2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid?
The InChIKey is WSKQDWAPVUYNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O3/c1-11-3-5-13(6-4-11)19-12(2)18(20(28)23-10-17(26)27)24-25(19)16-8-7-14(21)9-15(16)22/h3-9H,10H2,1-2H3,(H,23,28)(H,26,27).
What are the key properties of 2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid?
2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid has a molecular weight of 418.28 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 24748688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).