N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide

C24H28N4O3 — CID 42731978

IUPACN-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(OC)cc1)C(=O)C(C)C
InChIInChI=1S/C24H28N4O3/c1-5-27(24(30)17(2)3)16-23(29)25-22-15-21(18-9-7-6-8-10-18)26-28(22)19-11-13-20(31-4)14-12-19/h6-15,17H,5,16H2,1-4H3,(H,25,29)
InChIKeyYFAQKMXYFZLZDW-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.99
Rot. Bonds8

About N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide

N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide (PubChem CID 42731978) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide
PubChem CID42731978
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(OC)cc1)C(=O)C(C)C
InChIInChI=1S/C24H28N4O3/c1-5-27(24(30)17(2)3)16-23(29)25-22-15-21(18-9-7-6-8-10-18)26-28(22)19-11-13-20(31-4)14-12-19/h6-15,17H,5,16H2,1-4H3,(H,25,29)
InChIKeyYFAQKMXYFZLZDW-UHFFFAOYSA-N
XLogP3.99
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
CID 1062156
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1062173
2-[benzylcarbamoyl(ethyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 42658160
N-ethyl-2,4-dimethoxy-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 1062184
N-ethyl-2-fluoro-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 42731982
N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 42732023
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 1062343
3-methoxy-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 42731959
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
CID 42731746
2-[benzylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 4225378
2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 42741085
N-butyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]nonanamide
CID 3579116

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide (CID 42731978) is N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide is CCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(OC)cc1)C(=O)C(C)C.
What is the InChIKey of N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide?
The InChIKey is YFAQKMXYFZLZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-5-27(24(30)17(2)3)16-23(29)25-22-15-21(18-9-7-6-8-10-18)26-28(22)19-11-13-20(31-4)14-12-19/h6-15,17H,5,16H2,1-4H3,(H,25,29).
What are the key properties of N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide?
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 420.51 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 42731978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).