2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide

C22H33N5O2 — CID 126812587

IUPAC2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCCn1nc(C)c(CC(=O)Nc2cc(CN3CCN(C)CC3)ccc2OC)c1C
InChIInChI=1S/C22H33N5O2/c1-6-27-17(3)19(16(2)24-27)14-22(28)23-20-13-18(7-8-21(20)29-5)15-26-11-9-25(4)10-12-26/h7-8,13H,6,9-12,14-15H2,1-5H3,(H,23,28)
InChIKeyPTTDSLGADHHPIO-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.46
Rot. Bonds7

About 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide

2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide (PubChem CID 126812587) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
PubChem CID126812587
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCCn1nc(C)c(CC(=O)Nc2cc(CN3CCN(C)CC3)ccc2OC)c1C
InChIInChI=1S/C22H33N5O2/c1-6-27-17(3)19(16(2)24-27)14-22(28)23-20-13-18(7-8-21(20)29-5)15-26-11-9-25(4)10-12-26/h7-8,13H,6,9-12,14-15H2,1-5H3,(H,23,28)
InChIKeyPTTDSLGADHHPIO-UHFFFAOYSA-N
XLogP2.46
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 166204498
1-[(3,4-dimethoxyphenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 19615127
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 33073903
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyphenyl)acetamide
CID 36838601
N-(2,4-dimethoxyphenyl)-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 17415208
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33073914
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944436
methyl 4-[[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzoate
CID 26403501
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 8721043
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea
CID 56824173
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 33070046

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide (CID 126812587) is 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide is CCn1nc(C)c(CC(=O)Nc2cc(CN3CCN(C)CC3)ccc2OC)c1C.
What is the InChIKey of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide?
The InChIKey is PTTDSLGADHHPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-6-27-17(3)19(16(2)24-27)14-22(28)23-20-13-18(7-8-21(20)29-5)15-26-11-9-25(4)10-12-26/h7-8,13H,6,9-12,14-15H2,1-5H3,(H,23,28).
What are the key properties of 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide?
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide has a molecular weight of 399.54 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[2-methoxy-5-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 126812587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).