(4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone

C17H20Cl2N4O — CID 19478958

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H20Cl2N4O/c1-2-23-16(15(19)11-20-23)17(24)22-9-7-21(8-10-22)12-13-3-5-14(18)6-4-13/h3-6,11H,2,7-10,12H2,1H3
InChIKeyFOSLAWJFURSYPD-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.17
Rot. Bonds4

About (4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone

(4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19478958) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19478958
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESCCn1ncc(Cl)c1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H20Cl2N4O/c1-2-23-16(15(19)11-20-23)17(24)22-9-7-21(8-10-22)12-13-3-5-14(18)6-4-13/h3-6,11H,2,7-10,12H2,1H3
InChIKeyFOSLAWJFURSYPD-UHFFFAOYSA-N
XLogP3.17
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 19331820
[4-(4-chloro-1-ethylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 4581379
(4-chloro-1-ethylpyrazol-5-yl)-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]methanone
CID 95196647
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
CID 19478103
(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19478906
(4-chloro-1-ethylpyrazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 19478969
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
CID 130187615
(4-chlorophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19331488
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 26756608
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-methyl-4-pyridinyl)methanone
CID 91648718
(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19478917

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 19478958) is (4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone is CCn1ncc(Cl)c1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is FOSLAWJFURSYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c1-2-23-16(15(19)11-20-23)17(24)22-9-7-21(8-10-22)12-13-3-5-14(18)6-4-13/h3-6,11H,2,7-10,12H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone?
(4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 367.28 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19478958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).