2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide

C25H30N4O2 — CID 55413192

IUPAC2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)Cc2c(C)nn(CC(C)C)c2C)c1
InChIInChI=1S/C25H30N4O2/c1-16(2)15-29-19(5)22(18(4)28-29)14-24(30)27-23-12-7-6-11-21(23)25(31)26-20-10-8-9-17(3)13-20/h6-13,16H,14-15H2,1-5H3,(H,26,31)(H,27,30)
InChIKeyUNLCJTDSGFVUOO-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.90
Rot. Bonds7

About 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide

2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide (PubChem CID 55413192) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
PubChem CID55413192
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)Cc2c(C)nn(CC(C)C)c2C)c1
InChIInChI=1S/C25H30N4O2/c1-16(2)15-29-19(5)22(18(4)28-29)14-24(30)27-23-12-7-6-11-21(23)25(31)26-20-10-8-9-17(3)13-20/h6-13,16H,14-15H2,1-5H3,(H,26,31)(H,27,30)
InChIKeyUNLCJTDSGFVUOO-UHFFFAOYSA-N
XLogP4.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]benzamide
CID 55466110
2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 37245468
N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 9078844
2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid
CID 119218316
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35277586
2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55811206
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyphenyl)acetamide
CID 36838601
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439959
N-[3-[(dimethylamino)methyl]phenyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 86932013
2-[[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 24509245
5-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-methylbenzoic acid
CID 119255166
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]acetamide
CID 51949437

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide (CID 55413192) is 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)Cc2c(C)nn(CC(C)C)c2C)c1.
What is the InChIKey of 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide?
The InChIKey is UNLCJTDSGFVUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-16(2)15-29-19(5)22(18(4)28-29)14-24(30)27-23-12-7-6-11-21(23)25(31)26-20-10-8-9-17(3)13-20/h6-13,16H,14-15H2,1-5H3,(H,26,31)(H,27,30).
What are the key properties of 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide?
2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide has a molecular weight of 418.54 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 55413192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).