N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide

C19H25N3O2 — CID 9078844

IUPACN-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)c1
InChIInChI=1S/C19H25N3O2/c1-12(2)11-22-14(4)18(13(3)21-22)10-19(24)20-17-8-6-7-16(9-17)15(5)23/h6-9,12H,10-11H2,1-5H3,(H,20,24)
InChIKeyYJHRRVZQTVGBCH-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.54
Rot. Bonds6

About N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide

N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide (PubChem CID 9078844) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
PubChem CID9078844
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)c1
InChIInChI=1S/C19H25N3O2/c1-12(2)11-22-14(4)18(13(3)21-22)10-19(24)20-17-8-6-7-16(9-17)15(5)23/h6-9,12H,10-11H2,1-5H3,(H,20,24)
InChIKeyYJHRRVZQTVGBCH-UHFFFAOYSA-N
XLogP3.54
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(dimethylamino)methyl]phenyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 86932013
3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide
CID 51237592
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 24685444
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-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55413192
[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
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 25481432
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
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 8530903
2-[2-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]phenyl]acetic acid
CID 119218316

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide (CID 9078844) is N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide is CC(=O)c1cccc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide?
The InChIKey is YJHRRVZQTVGBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)11-22-14(4)18(13(3)21-22)10-19(24)20-17-8-6-7-16(9-17)15(5)23/h6-9,12H,10-11H2,1-5H3,(H,20,24).
What are the key properties of N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide?
N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 9078844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).