N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide

C25H30N4O2 — CID 42731321

IUPACN-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CNC(=O)Cc2ccccc2)c(C)c1
InChIInChI=1S/C25H30N4O2/c1-17-11-12-20(18(2)13-17)29-22(15-21(28-29)25(3,4)5)27-24(31)16-26-23(30)14-19-9-7-6-8-10-19/h6-13,15H,14,16H2,1-5H3,(H,26,30)(H,27,31)
InChIKeyPZOBBWFQMVMWGR-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.08
Rot. Bonds6

About N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide

N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 42731321) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide
PubChem CID42731321
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CNC(=O)Cc2ccccc2)c(C)c1
InChIInChI=1S/C25H30N4O2/c1-17-11-12-20(18(2)13-17)29-22(15-21(28-29)25(3,4)5)27-24(31)16-26-23(30)14-19-9-7-6-8-10-19/h6-13,15H,14,16H2,1-5H3,(H,26,30)(H,27,31)
InChIKeyPZOBBWFQMVMWGR-UHFFFAOYSA-N
XLogP4.08
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]propanamide
CID 770939
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 42732928
(2S)-N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-ethylhexanamide
CID 7494997
N-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-2-[[2-(4-chlorophenoxy)acetyl]amino]acetamide
CID 1062038
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-(3-methylphenyl)acetamide
CID 67091317
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 1052243
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 42735519
(E)-N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 1052140
N-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-2-[2-methoxyethyl(phenylcarbamoyl)amino]acetamide
CID 5218246
N-[1-(4-bromophenyl)-3-tert-butylpyrazol-5-yl]-2-phenylacetamide
CID 46087859
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 1052142
N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 1056420

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide (CID 42731321) is N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CNC(=O)Cc2ccccc2)c(C)c1.
What is the InChIKey of N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is PZOBBWFQMVMWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-17-11-12-20(18(2)13-17)29-22(15-21(28-29)25(3,4)5)27-24(31)16-26-23(30)14-19-9-7-6-8-10-19/h6-13,15H,14,16H2,1-5H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 418.54 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 42731321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).