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

C25H30N4O2 — CID 42734726

IUPACN-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-dimethylbenzamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C)C(=O)c2ccccc2C)cc1
InChIInChI=1S/C25H30N4O2/c1-17-11-13-19(14-12-17)29-22(15-21(27-29)25(3,4)5)26-23(30)16-28(6)24(31)20-10-8-7-9-18(20)2/h7-15H,16H2,1-6H3,(H,26,30)
InChIKeyBQXNXGBBIGYLGS-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.50
Rot. Bonds5

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

N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-dimethylbenzamide (PubChem CID 42734726) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-dimethylbenzamide
PubChem CID42734726
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-dimethylbenzamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C)C(=O)c2ccccc2C)cc1
InChIInChI=1S/C25H30N4O2/c1-17-11-13-19(14-12-17)29-22(15-21(27-29)25(3,4)5)26-23(30)16-28(6)24(31)20-10-8-7-9-18(20)2/h7-15H,16H2,1-6H3,(H,26,30)
InChIKeyBQXNXGBBIGYLGS-UHFFFAOYSA-N
XLogP4.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-3,5-dichloro-N-methylbenzamide
CID 42734752
N-benzyl-N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 42734696
N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 42733309
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methyl-4-phenylbenzamide
CID 42735487
N-butyl-N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 3660360
N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]-2-[methyl-[(4-methylphenyl)carbamoyl]amino]acetamide
CID 42735900
N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methylcyclohexanecarboxamide
CID 1067325
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-[dimethylcarbamoyl(2-methoxyethyl)amino]acetamide
CID 42734793
2-[benzyl-[(2,6-dimethylphenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]acetamide
CID 4024541
3-amino-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]propanamide
CID 119293994
N-butyl-N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]propanamide
CID 42733561
N-benzyl-N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-methylbenzamide
CID 3436068

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-dimethylbenzamide?
The IUPAC name of N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-dimethylbenzamide (CID 42734726) is N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-dimethylbenzamide.
What is the SMILES notation for N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-dimethylbenzamide?
The canonical SMILES for N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-dimethylbenzamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(C)C(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-dimethylbenzamide?
The InChIKey is BQXNXGBBIGYLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-17-11-13-19(14-12-17)29-22(15-21(27-29)25(3,4)5)26-23(30)16-28(6)24(31)20-10-8-7-9-18(20)2/h7-15H,16H2,1-6H3,(H,26,30).
What are the key properties of N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-dimethylbenzamide?
N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-dimethylbenzamide has a molecular weight of 418.54 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 42734726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).