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

C20H27N5O3 — CID 42285770

IUPACN-(2-ethoxyphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)Cn1nc(C(=O)N2CCN(C)CC2)cc1C
InChIInChI=1S/C20H27N5O3/c1-4-28-18-8-6-5-7-16(18)21-19(26)14-25-15(2)13-17(22-25)20(27)24-11-9-23(3)10-12-24/h5-8,13H,4,9-12,14H2,1-3H3,(H,21,26)
InChIKeyPGZARTIKTCZKDU-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.62
Rot. Bonds6

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

N-(2-ethoxyphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide (PubChem CID 42285770) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
PubChem CID42285770
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-(2-ethoxyphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)Cn1nc(C(=O)N2CCN(C)CC2)cc1C
InChIInChI=1S/C20H27N5O3/c1-4-28-18-8-6-5-7-16(18)21-19(26)14-25-15(2)13-17(22-25)20(27)24-11-9-23(3)10-12-24/h5-8,13H,4,9-12,14H2,1-3H3,(H,21,26)
InChIKeyPGZARTIKTCZKDU-UHFFFAOYSA-N
XLogP1.62
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.62
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-(4-acetylphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
CID 42285772
ethyl 4-[3-(2-ethoxyanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950350
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
[5-(2-ethoxyanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230172
2-[4-(2-ethoxybenzoyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 87014558
ethyl 4-[5-(2-ethoxyanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194157
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]ethanone;hydrochloride
CID 45284437
N-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 45000656
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
N-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787693
N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533896

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide (CID 42285770) is N-(2-ethoxyphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide is CCOc1ccccc1NC(=O)Cn1nc(C(=O)N2CCN(C)CC2)cc1C.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide?
The InChIKey is PGZARTIKTCZKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-4-28-18-8-6-5-7-16(18)21-19(26)14-25-15(2)13-17(22-25)20(27)24-11-9-23(3)10-12-24/h5-8,13H,4,9-12,14H2,1-3H3,(H,21,26).
What are the key properties of N-(2-ethoxyphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide?
N-(2-ethoxyphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 42285770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).