N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide

C25H24N4O — CID 39912340

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24N4O/c1-18-25(19(2)29(28-18)23-11-7-4-8-12-23)27-24(30)17-26-22-15-13-21(14-16-22)20-9-5-3-6-10-20/h3-16,26H,17H2,1-2H3,(H,27,30)
InChIKeyMMQRFWTXZFUGBW-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.21
Rot. Bonds6

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide (PubChem CID 39912340) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide
PubChem CID39912340
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H24N4O/c1-18-25(19(2)29(28-18)23-11-7-4-8-12-23)27-24(30)17-26-22-15-13-21(14-16-22)20-9-5-3-6-10-20/h3-16,26H,17H2,1-2H3,(H,27,30)
InChIKeyMMQRFWTXZFUGBW-UHFFFAOYSA-N
XLogP5.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(3-methylanilino)acetamide
CID 78792945
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylphenyl)acetamide
CID 24659529
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(3-fluoroanilino)acetamide
CID 37474549
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]acetamide
CID 86804923
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528207
methyl 3-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzoate
CID 34067313
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(2-phenylindol-1-yl)acetamide
CID 16575307
N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide
CID 24510665
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-ethylphenyl)acetamide
CID 99632483
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 34398137
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(N-methylanilino)acetamide
CID 8002339

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide (CID 39912340) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CNc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide?
The InChIKey is MMQRFWTXZFUGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-18-25(19(2)29(28-18)23-11-7-4-8-12-23)27-24(30)17-26-22-15-13-21(14-16-22)20-9-5-3-6-10-20/h3-16,26H,17H2,1-2H3,(H,27,30).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide has a molecular weight of 396.49 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-phenylanilino)acetamide is sourced from PubChem (CID 39912340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).