(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone

C24H28N4O — CID 9041474

IUPAC(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H28N4O/c1-19-23(20(2)28(25-19)18-22-11-7-4-8-12-22)24(29)27-15-13-26(14-16-27)17-21-9-5-3-6-10-21/h3-12H,13-18H2,1-2H3
InChIKeyBNKMHYSPJYGECQ-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.51
Rot. Bonds5

About (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone

(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone (PubChem CID 9041474) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
PubChem CID9041474
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H28N4O/c1-19-23(20(2)28(25-19)18-22-11-7-4-8-12-22)24(29)27-15-13-26(14-16-27)17-21-9-5-3-6-10-21/h3-12H,13-18H2,1-2H3
InChIKeyBNKMHYSPJYGECQ-UHFFFAOYSA-N
XLogP3.51
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzyl-3,5-dimethylpyrazol-4-yl)-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methanone
CID 17458243
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-methoxypiperidin-1-yl)methanone
CID 56810648
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 34580387
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 7494641
(1-benzyl-5-methyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 42817686
(4-benzylpiperazin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 110695185
[4-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]-phenylmethanone
CID 31363148
4-[[4-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 37278956
[1-benzyl-5-methyl-3-(2-methylpropyl)pyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 42820374
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180
2-[4-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014653

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone?
The IUPAC name of (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone (CID 9041474) is (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone?
The canonical SMILES for (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone is Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone?
The InChIKey is BNKMHYSPJYGECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-19-23(20(2)28(25-19)18-22-11-7-4-8-12-22)24(29)27-15-13-26(14-16-27)17-21-9-5-3-6-10-21/h3-12H,13-18H2,1-2H3.
What are the key properties of (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone?
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone has a molecular weight of 388.52 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone is sourced from PubChem (CID 9041474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).