4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one

C24H30N4O — CID 23962263

IUPAC4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1ccc(C)c(N2CCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c1
InChIInChI=1S/C24H30N4O/c1-18-10-11-19(2)23(16-18)27-14-12-26(13-15-27)17-22-20(3)25(4)28(24(22)29)21-8-6-5-7-9-21/h5-11,16H,12-15,17H2,1-4H3
InChIKeyBRHJFLOMKWLQOC-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.42
Rot. Bonds4

About 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one

4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 23962263) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID23962263
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
SMILESCc1ccc(C)c(N2CCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c1
InChIInChI=1S/C24H30N4O/c1-18-10-11-19(2)23(16-18)27-14-12-26(13-15-27)17-22-20(3)25(4)28(24(22)29)21-8-6-5-7-9-21/h5-11,16H,12-15,17H2,1-4H3
InChIKeyBRHJFLOMKWLQOC-UHFFFAOYSA-N
XLogP3.42
TPSA33.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 2113108
1,5-dimethyl-2-phenyl-4-(piperidin-1-ylmethyl)pyrazol-3-one
CID 11507500
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-6-methyl-1-(2-methylphenyl)piperazin-2-one
CID 45191932
4-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 2108028
4-[[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 50963780
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469039
1,5-dimethyl-4-[[(2R)-2-(4-methylpentyl)morpholin-4-yl]methyl]-2-phenylpyrazol-3-one
CID 28732080
1,5-dimethyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-2-phenylpyrazol-3-one
CID 743351
2-[(3S)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95709411
1-[(5-bromothiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazine
CID 1376197
1,5-dimethyl-2-phenyl-4-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]pyrazol-3-one
CID 99934368
9-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56909506

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one (CID 23962263) is 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one is Cc1ccc(C)c(N2CCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c1.
What is the InChIKey of 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is BRHJFLOMKWLQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18-10-11-19(2)23(16-18)27-14-12-26(13-15-27)17-22-20(3)25(4)28(24(22)29)21-8-6-5-7-9-21/h5-11,16H,12-15,17H2,1-4H3.
What are the key properties of 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one?
4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 390.53 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 23962263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).