2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide

C24H28N4O — CID 24685444

IUPAC2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc(/C=C/c2ccccn2)c1
InChIInChI=1S/C24H28N4O/c1-17(2)16-28-19(4)23(18(3)27-28)15-24(29)26-22-10-7-8-20(14-22)11-12-21-9-5-6-13-25-21/h5-14,17H,15-16H2,1-4H3,(H,26,29)/b12-11+
InChIKeyFUDOZMAUVGHJOU-VAWYXSNFSA-N
MW388.52 g/mol
LogP4.90
Rot. Bonds7

About 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide (PubChem CID 24685444) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
PubChem CID24685444
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
SMILESCc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc(/C=C/c2ccccn2)c1
InChIInChI=1S/C24H28N4O/c1-17(2)16-28-19(4)23(18(3)27-28)15-24(29)26-22-10-7-8-20(14-22)11-12-21-9-5-6-13-25-21/h5-14,17H,15-16H2,1-4H3,(H,26,29)/b12-11+
InChIKeyFUDOZMAUVGHJOU-VAWYXSNFSA-N
XLogP4.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 9078844
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 8832165
N-[3-[(dimethylamino)methyl]phenyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 86932013
2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55413192
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
2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid
CID 119218316
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 39500076
[2-(3-chloroanilino)-2-oxoethyl] 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetate
CID 27935310
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1H-indazol-5-yl)acetamide
CID 134050845
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 9087552
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyphenyl)acetamide
CID 36838601

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide (CID 24685444) is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide is Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1cccc(/C=C/c2ccccn2)c1.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide?
The InChIKey is FUDOZMAUVGHJOU-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17(2)16-28-19(4)23(18(3)27-28)15-24(29)26-22-10-7-8-20(14-22)11-12-21-9-5-6-13-25-21/h5-14,17H,15-16H2,1-4H3,(H,26,29)/b12-11+.
What are the key properties of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide?
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide has a molecular weight of 388.52 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide is sourced from PubChem (CID 24685444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).