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

C20H25N5O3 — CID 42285772

IUPACN-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(C(=O)N3CCN(C)CC3)cc2C)cc1
InChIInChI=1S/C20H25N5O3/c1-14-12-18(20(28)24-10-8-23(3)9-11-24)22-25(14)13-19(27)21-17-6-4-16(5-7-17)15(2)26/h4-7,12H,8-11,13H2,1-3H3,(H,21,27)
InChIKeyFLXFSKRWGCJBCJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.42
Rot. Bonds5

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

N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide (PubChem CID 42285772) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
PubChem CID42285772
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2nc(C(=O)N3CCN(C)CC3)cc2C)cc1
InChIInChI=1S/C20H25N5O3/c1-14-12-18(20(28)24-10-8-23(3)9-11-24)22-25(14)13-19(27)21-17-6-4-16(5-7-17)15(2)26/h4-7,12H,8-11,13H2,1-3H3,(H,21,27)
InChIKeyFLXFSKRWGCJBCJ-UHFFFAOYSA-N
XLogP1.42
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
CID 42285782
N-(2-ethoxyphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
CID 42285770
2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 42285700
N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521235
2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 42285756
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
N-(4-acetylphenyl)-2-[3-(pyrrolidine-1-carbonyl)indazol-1-yl]acetamide
CID 46378627
2-(2-methylphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 110664380
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride
CID 45284437
ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 8932201
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 108763681
N-(4-acetylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196979

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide (CID 42285772) is N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide is CC(=O)c1ccc(NC(=O)Cn2nc(C(=O)N3CCN(C)CC3)cc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide?
The InChIKey is FLXFSKRWGCJBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14-12-18(20(28)24-10-8-23(3)9-11-24)22-25(14)13-19(27)21-17-6-4-16(5-7-17)15(2)26/h4-7,12H,8-11,13H2,1-3H3,(H,21,27).
What are the key properties of N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide?
N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 42285772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).