N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide

C20H26N6O3 — CID 42285782

IUPACN-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cn2nc(C(=O)N3CCN(C)CC3)cc2C)c1
InChIInChI=1S/C20H26N6O3/c1-14-11-18(20(29)25-9-7-24(3)8-10-25)23-26(14)13-19(28)22-17-6-4-5-16(12-17)21-15(2)27/h4-6,11-12H,7-10,13H2,1-3H3,(H,21,27)(H,22,28)
InChIKeyGPJLPPANEIJVHT-UHFFFAOYSA-N
MW398.47 g/mol
LogP1.18
Rot. Bonds5

About N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide

N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide (PubChem CID 42285782) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
PubChem CID42285782
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC NameN-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cn2nc(C(=O)N3CCN(C)CC3)cc2C)c1
InChIInChI=1S/C20H26N6O3/c1-14-11-18(20(29)25-9-7-24(3)8-10-25)23-26(14)13-19(28)22-17-6-4-5-16(12-17)21-15(2)27/h4-6,11-12H,7-10,13H2,1-3H3,(H,21,27)(H,22,28)
InChIKeyGPJLPPANEIJVHT-UHFFFAOYSA-N
XLogP1.18
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
CID 42285772
N-(2-ethoxyphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
CID 42285770
2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 42285756
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461
2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 42285700
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 652437
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride
CID 45284437
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 43431779
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 42285692
2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 42285801

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide (CID 42285782) is N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide is CC(=O)Nc1cccc(NC(=O)Cn2nc(C(=O)N3CCN(C)CC3)cc2C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide?
The InChIKey is GPJLPPANEIJVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-14-11-18(20(29)25-9-7-24(3)8-10-25)23-26(14)13-19(28)22-17-6-4-5-16(12-17)21-15(2)27/h4-6,11-12H,7-10,13H2,1-3H3,(H,21,27)(H,22,28).
What are the key properties of N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide?
N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide has a molecular weight of 398.47 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 42285782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).