[4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

C24H28N4O — CID 91938721

IUPAC[4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCc1ccc(C)c(C(c2ccccc2)N2CCN(C(=O)c3ccnn3C)CC2)c1
InChIInChI=1S/C24H28N4O/c1-18-9-10-19(2)21(17-18)23(20-7-5-4-6-8-20)27-13-15-28(16-14-27)24(29)22-11-12-25-26(22)3/h4-12,17,23H,13-16H2,1-3H3
InChIKeyVLOMVCYHNMXBHC-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.58
Rot. Bonds4

About [4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 91938721) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is [4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID91938721
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name[4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCc1ccc(C)c(C(c2ccccc2)N2CCN(C(=O)c3ccnn3C)CC2)c1
InChIInChI=1S/C24H28N4O/c1-18-9-10-19(2)21(17-18)23(20-7-5-4-6-8-20)27-13-15-28(16-14-27)24(29)22-11-12-25-26(22)3/h4-12,17,23H,13-16H2,1-3H3
InChIKeyVLOMVCYHNMXBHC-UHFFFAOYSA-N
XLogP3.58
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(S)-(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 97458548
[4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 91938736
[4-[(S)-(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 97458570
4-[4-[(R)-(2,5-dimethylphenyl)-phenylmethyl]piperazine-1-carbonyl]benzonitrile
CID 97458564
3-[4-[(S)-(2,5-dimethylphenyl)-phenylmethyl]piperazine-1-carbonyl]benzonitrile
CID 97458587
1-[4-[(S)-(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-2-phenoxyethanone
CID 97458623
(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157018471
[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124535818
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
1-[4-[(R)-(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95756685
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(3-tert-butyl-1-methylpyrazol-5-yl)methanone
CID 92771291

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 91938721) is [4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cc1ccc(C)c(C(c2ccccc2)N2CCN(C(=O)c3ccnn3C)CC2)c1.
What is the InChIKey of [4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is VLOMVCYHNMXBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-9-10-19(2)21(17-18)23(20-7-5-4-6-8-20)27-13-15-28(16-14-27)24(29)22-11-12-25-26(22)3/h4-12,17,23H,13-16H2,1-3H3.
What are the key properties of [4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 388.52 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dimethylphenyl)-phenylmethyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 91938721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).