N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide

C23H26N4O2 — CID 1062156

IUPACN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)C(C)C
InChIInChI=1S/C23H26N4O2/c1-4-26(23(29)17(2)3)16-22(28)24-21-15-20(18-11-7-5-8-12-18)25-27(21)19-13-9-6-10-14-19/h5-15,17H,4,16H2,1-3H3,(H,24,28)
InChIKeyBDMVDJQFRGZIAJ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.98
Rot. Bonds7

About N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide

N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide (PubChem CID 1062156) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
PubChem CID1062156
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)C(C)C
InChIInChI=1S/C23H26N4O2/c1-4-26(23(29)17(2)3)16-22(28)24-21-15-20(18-11-7-5-8-12-18)25-27(21)19-13-9-6-10-14-19/h5-15,17H,4,16H2,1-3H3,(H,24,28)
InChIKeyBDMVDJQFRGZIAJ-UHFFFAOYSA-N
XLogP3.98
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42731978
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 1062343
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)-4-phenylbenzamide
CID 42732118
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide
CID 5107189
2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3313857
N-[2-[[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 42740904
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
CID 42731746
2-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 51243459
2-[butylcarbamoyl(2-methylpropyl)amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 5033485
N-(1,3-diphenylpyrazol-5-yl)-4-methylpentanamide
CID 46087809
ethyl 4-[[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-(2-methylpropyl)amino]-4-oxobutanoate
CID 42732122
N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide
CID 3524528

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide?
The IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide (CID 1062156) is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide.
What is the SMILES notation for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide?
The canonical SMILES for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide is CCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)C(C)C.
What is the InChIKey of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide?
The InChIKey is BDMVDJQFRGZIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-26(23(29)17(2)3)16-22(28)24-21-15-20(18-11-7-5-8-12-18)25-27(21)19-13-9-6-10-14-19/h5-15,17H,4,16H2,1-3H3,(H,24,28).
What are the key properties of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide?
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide has a molecular weight of 390.49 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide is sourced from PubChem (CID 1062156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).