N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide

C24H28ClN5O2 — CID 24815642

IUPACN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3cccc(C)c3)CC2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C24H28ClN5O2/c1-17-5-4-6-19(13-17)30-11-9-29(10-12-30)16-23(31)27-18-7-8-22(32-3)20(14-18)24-21(25)15-26-28(24)2/h4-8,13-15H,9-12,16H2,1-3H3,(H,27,31)
InChIKeyCIODZMCYONEEAR-UHFFFAOYSA-N
MW453.97 g/mol
LogP3.82
Rot. Bonds6

About N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 24815642) has the molecular formula C24H28ClN5O2 and a molecular weight of 453.97 g/mol. Its IUPAC name is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
PubChem CID24815642
Molecular FormulaC24H28ClN5O2
Molecular Weight453.97 g/mol
Exact Mass453.19
IUPAC NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3cccc(C)c3)CC2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C24H28ClN5O2/c1-17-5-4-6-19(13-17)30-11-9-29(10-12-30)16-23(31)27-18-7-8-22(32-3)20(14-18)24-21(25)15-26-28(24)2/h4-8,13-15H,9-12,16H2,1-3H3,(H,27,31)
InChIKeyCIODZMCYONEEAR-UHFFFAOYSA-N
XLogP3.82
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 24816181
N-(3,4-dichlorophenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029431
N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
N-(4-methoxyphenyl)-2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]acetamide
CID 171998493
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 6466210
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(3-methylphenyl)urea
CID 137492363
N-(2-chloro-4,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34733225
N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735853
N-[3-[[2-(dimethylamino)acetyl]amino]phenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 131897568
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide
CID 66928508

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide (CID 24815642) is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCN(c3cccc(C)c3)CC2)cc1-c1c(Cl)cnn1C.
What is the InChIKey of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is CIODZMCYONEEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O2/c1-17-5-4-6-19(13-17)30-11-9-29(10-12-30)16-23(31)27-18-7-8-22(32-3)20(14-18)24-21(25)15-26-28(24)2/h4-8,13-15H,9-12,16H2,1-3H3,(H,27,31).
What are the key properties of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide?
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide has a molecular weight of 453.97 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24815642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).