2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

C25H30ClN5O — CID 35877991

IUPAC2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(Cc2c(C)nn(-c3ccccc3)c2Cl)CC1
InChIInChI=1S/C25H30ClN5O/c1-3-20-9-7-8-12-23(20)27-24(32)18-30-15-13-29(14-16-30)17-22-19(2)28-31(25(22)26)21-10-5-4-6-11-21/h4-12H,3,13-18H2,1-2H3,(H,27,32)
InChIKeyQWMBUZRBZWFFMY-UHFFFAOYSA-N
MW452.00 g/mol
LogP4.15
Rot. Bonds7

About 2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 35877991) has the molecular formula C25H30ClN5O and a molecular weight of 452.00 g/mol. Its IUPAC name is 2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID35877991
Molecular FormulaC25H30ClN5O
Molecular Weight452.00 g/mol
Exact Mass451.21
IUPAC Name2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(Cc2c(C)nn(-c3ccccc3)c2Cl)CC1
InChIInChI=1S/C25H30ClN5O/c1-3-20-9-7-8-12-23(20)27-24(32)18-30-15-13-29(14-16-30)17-22-19(2)28-31(25(22)26)21-10-5-4-6-11-21/h4-12H,3,13-18H2,1-2H3,(H,27,32)
InChIKeyQWMBUZRBZWFFMY-UHFFFAOYSA-N
XLogP4.15
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.00
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(2-ethylphenyl)-2-[4-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperazin-1-yl]acetamide
CID 8795402
N-(2-ethylphenyl)-2-[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]acetamide
CID 29106292
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-ethylphenyl)acetamide
CID 55736830
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773116
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 86870595
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773310
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562
N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
N-(2-ethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 17499670
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (CID 35877991) is 2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1CCN(Cc2c(C)nn(-c3ccccc3)c2Cl)CC1.
What is the InChIKey of 2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is QWMBUZRBZWFFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O/c1-3-20-9-7-8-12-23(20)27-24(32)18-30-15-13-29(14-16-30)17-22-19(2)28-31(25(22)26)21-10-5-4-6-11-21/h4-12H,3,13-18H2,1-2H3,(H,27,32).
What are the key properties of 2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 452.00 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 35877991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).