(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone

C17H22N4O — CID 59382180

IUPAC(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)n(C)n1
InChIInChI=1S/C17H22N4O/c1-14-12-16(19(2)18-14)17(22)21-10-8-20(9-11-21)13-15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3
InChIKeyPPPFSHSCAODRHF-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.69
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone

(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 59382180) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID59382180
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)n(C)n1
InChIInChI=1S/C17H22N4O/c1-14-12-16(19(2)18-14)17(22)21-10-8-20(9-11-21)13-15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3
InChIKeyPPPFSHSCAODRHF-UHFFFAOYSA-N
XLogP1.69
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 19479074
(2,5-dimethylpyrazol-3-yl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19479068
(2,5-dimethylpyrazol-3-yl)-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 56816524
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 19479072
[4-(2-aminoethyl)piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129011
1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110685852
2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]acetonitrile
CID 66128615
(2,5-dimethylpyrazol-3-yl)-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 167967948
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 9041474
N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55874101
(2,5-dimethylpyrazol-3-yl)-[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methanone
CID 55872742

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone (CID 59382180) is (4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)n(C)n1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is PPPFSHSCAODRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-12-16(19(2)18-14)17(22)21-10-8-20(9-11-21)13-15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone?
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 298.39 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 59382180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).