N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide

C24H29N5O2 — CID 6469039

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1ccccc1N1CCN(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1
InChIInChI=1S/C24H29N5O2/c1-18-9-7-8-12-21(18)28-15-13-27(14-16-28)17-22(30)25-23-19(2)26(3)29(24(23)31)20-10-5-4-6-11-20/h4-12H,13-17H2,1-3H3,(H,25,30)
InChIKeyVEJPVRFAQSLPEC-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.55
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 6469039) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
PubChem CID6469039
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1ccccc1N1CCN(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1
InChIInChI=1S/C24H29N5O2/c1-18-9-7-8-12-21(18)28-15-13-27(14-16-28)17-22(30)25-23-19(2)26(3)29(24(23)31)20-10-5-4-6-11-20/h4-12H,13-17H2,1-3H3,(H,25,30)
InChIKeyVEJPVRFAQSLPEC-UHFFFAOYSA-N
XLogP2.55
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzhydrylpiperazin-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 648425
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195948
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 17037875
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 4965557
2-(2,3-dihydroindol-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 22199899
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 22194062
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 2331096
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8726239
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2351322
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 8834284
2-[4-(2-methylphenyl)piperazin-1-yl]-N-pyridin-2-ylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide (CID 6469039) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide is Cc1ccccc1N1CCN(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is VEJPVRFAQSLPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-18-9-7-8-12-21(18)28-15-13-27(14-16-28)17-22(30)25-23-19(2)26(3)29(24(23)31)20-10-5-4-6-11-20/h4-12H,13-17H2,1-3H3,(H,25,30).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6469039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).