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

C25H31N5O2 — CID 112801271

IUPAC2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CNc3ccccc3C(=O)NCC(C)C)c2C)cc1
InChIInChI=1S/C25H31N5O2/c1-16(2)14-27-25(32)21-8-6-7-9-22(21)26-15-23(31)28-24-18(4)29-30(19(24)5)20-12-10-17(3)11-13-20/h6-13,16,26H,14-15H2,1-5H3,(H,27,32)(H,28,31)
InChIKeySPQFISJVQSHMSK-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.23
Rot. Bonds8

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

2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 112801271) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID112801271
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CNc3ccccc3C(=O)NCC(C)C)c2C)cc1
InChIInChI=1S/C25H31N5O2/c1-16(2)14-27-25(32)21-8-6-7-9-22(21)26-15-23(31)28-24-18(4)29-30(19(24)5)20-12-10-17(3)11-13-20/h6-13,16,26H,14-15H2,1-5H3,(H,27,32)(H,28,31)
InChIKeySPQFISJVQSHMSK-UHFFFAOYSA-N
XLogP4.23
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide with MolForge

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
CID 78817610
N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317
N-(4-chlorophenyl)-2-[[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]amino]benzamide
CID 24510665
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51275540
2-benzhydrylsulfanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 24659414
2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34068641
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-(4-methylphenyl)sulfanylacetamide
CID 16528207
N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide
CID 32987501
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 112804434
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide
CID 42989450
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide (CID 112801271) is 2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide is Cc1ccc(-n2nc(C)c(NC(=O)CNc3ccccc3C(=O)NCC(C)C)c2C)cc1.
What is the InChIKey of 2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is SPQFISJVQSHMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-16(2)14-27-25(32)21-8-6-7-9-22(21)26-15-23(31)28-24-18(4)29-30(19(24)5)20-12-10-17(3)11-13-20/h6-13,16,26H,14-15H2,1-5H3,(H,27,32)(H,28,31).
What are the key properties of 2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 433.56 g/mol, XLogP of 4.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 112801271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).