4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide

C22H23ClN4O2 — CID 56518026

IUPAC4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide
SMILESCc1ccc(-n2nc(C)c(CC(=O)Nc3ccc(C(N)=O)c(C)c3)c2C)cc1Cl
InChIInChI=1S/C22H23ClN4O2/c1-12-5-7-17(10-20(12)23)27-15(4)19(14(3)26-27)11-21(28)25-16-6-8-18(22(24)29)13(2)9-16/h5-10H,11H2,1-4H3,(H2,24,29)(H,25,28)
InChIKeyXUHFYUKZBNUTFM-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.04
Rot. Bonds5

About 4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide

4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide (PubChem CID 56518026) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide
PubChem CID56518026
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide
SMILESCc1ccc(-n2nc(C)c(CC(=O)Nc3ccc(C(N)=O)c(C)c3)c2C)cc1Cl
InChIInChI=1S/C22H23ClN4O2/c1-12-5-7-17(10-20(12)23)27-15(4)19(14(3)26-27)11-21(28)25-16-6-8-18(22(24)29)13(2)9-16/h5-10H,11H2,1-4H3,(H2,24,29)(H,25,28)
InChIKeyXUHFYUKZBNUTFM-UHFFFAOYSA-N
XLogP4.04
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9043581
2-chloro-N-cyclopropyl-4-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]benzamide
CID 55805216
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 38977433
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)acetamide
CID 55760915
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55760731
3-[[2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-N-methylbenzamide
CID 38965635
2-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119240253
2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 39033208
N-(2-anilino-2-oxoethyl)-2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 55958417
2-chloro-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119164233
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]acetamide
CID 55955069
methyl 2-[1-(3,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 61381106

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide?
The IUPAC name of 4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide (CID 56518026) is 4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide.
What is the SMILES notation for 4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide?
The canonical SMILES for 4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide is Cc1ccc(-n2nc(C)c(CC(=O)Nc3ccc(C(N)=O)c(C)c3)c2C)cc1Cl.
What is the InChIKey of 4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide?
The InChIKey is XUHFYUKZBNUTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-12-5-7-17(10-20(12)23)27-15(4)19(14(3)26-27)11-21(28)25-16-6-8-18(22(24)29)13(2)9-16/h5-10H,11H2,1-4H3,(H2,24,29)(H,25,28).
What are the key properties of 4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide?
4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide has a molecular weight of 410.91 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylbenzamide is sourced from PubChem (CID 56518026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).