N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide

C22H24N4O3 — CID 47022209

IUPACN-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1
InChIInChI=1S/C22H24N4O3/c1-3-29-19-11-9-18(10-12-19)22(28)23-14-21(27)24-20-13-16(2)25-26(20)15-17-7-5-4-6-8-17/h4-13H,3,14-15H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyMUDRLXYKEPXNDW-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.01
Rot. Bonds8

About N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide

N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide (PubChem CID 47022209) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide
PubChem CID47022209
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1
InChIInChI=1S/C22H24N4O3/c1-3-29-19-11-9-18(10-12-19)22(28)23-14-21(27)24-20-13-16(2)25-26(20)15-17-7-5-4-6-8-17/h4-13H,3,14-15H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyMUDRLXYKEPXNDW-UHFFFAOYSA-N
XLogP3.01
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide
CID 97101178
N-(2-benzyl-5-methylpyrazol-3-yl)-4-ethoxy-3-nitrobenzamide
CID 51112941
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 5300709
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 167832722
N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704826
4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47038574
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide
CID 35521241
1-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)urea
CID 39891220
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 134005414
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide (CID 47022209) is N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)Nc2cc(C)nn2Cc2ccccc2)cc1.
What is the InChIKey of N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide?
The InChIKey is MUDRLXYKEPXNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-29-19-11-9-18(10-12-19)22(28)23-14-21(27)24-20-13-16(2)25-26(20)15-17-7-5-4-6-8-17/h4-13H,3,14-15H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide?
N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide has a molecular weight of 392.46 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-benzyl-5-methylpyrazol-3-yl)amino]-2-oxoethyl]-4-ethoxybenzamide is sourced from PubChem (CID 47022209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).