[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone

C17H20Cl2N4O — CID 19479072

IUPAC[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)n(C)n1
InChIInChI=1S/C17H20Cl2N4O/c1-12-9-16(21(2)20-12)17(24)23-7-5-22(6-8-23)11-13-3-4-14(18)10-15(13)19/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyZUYURGKPIFFAEM-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.99
Rot. Bonds3

About [4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone

[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 19479072) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is [4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID19479072
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC Name[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)n(C)n1
InChIInChI=1S/C17H20Cl2N4O/c1-12-9-16(21(2)20-12)17(24)23-7-5-22(6-8-23)11-13-3-4-14(18)10-15(13)19/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyZUYURGKPIFFAEM-UHFFFAOYSA-N
XLogP2.99
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.99
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
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 19279232
[4-(2-aminoethyl)piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66129011
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(4-iodo-1-methylpyrazol-5-yl)methanone
CID 19478863
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 19478973
2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19531523
1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110685852
(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
2-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]acetonitrile
CID 66128615
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 29096822

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone (CID 19479072) is [4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)n(C)n1.
What is the InChIKey of [4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is ZUYURGKPIFFAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c1-12-9-16(21(2)20-12)17(24)23-7-5-22(6-8-23)11-13-3-4-14(18)10-15(13)19/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of [4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 367.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 19479072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).