(4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone

C17H19BrCl2N4O — CID 19279446

IUPAC(4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
SMILESCCn1cc(Br)c(C(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C17H19BrCl2N4O/c1-2-24-11-13(18)16(21-24)17(25)23-7-5-22(6-8-23)10-12-3-4-14(19)15(20)9-12/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyQLRGYBUBGDDXSL-UHFFFAOYSA-N
MW446.18 g/mol
LogP3.93
Rot. Bonds4

About (4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone

(4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19279446) has the molecular formula C17H19BrCl2N4O and a molecular weight of 446.18 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19279446
Molecular FormulaC17H19BrCl2N4O
Molecular Weight446.18 g/mol
Exact Mass444.01
IUPAC Name(4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
SMILESCCn1cc(Br)c(C(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C17H19BrCl2N4O/c1-2-24-11-13(18)16(21-24)17(25)23-7-5-22(6-8-23)10-12-3-4-14(19)15(20)9-12/h3-4,9,11H,2,5-8,10H2,1H3
InChIKeyQLRGYBUBGDDXSL-UHFFFAOYSA-N
XLogP3.93
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.18
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19441788
(4-chloro-1-ethylpyrazol-3-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19279313
[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19441793
1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 19295103
(2,4-dichlorophenyl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 19295205
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(1-ethyl-3-methylpyrazol-4-yl)methanone
CID 19478103
(4-bromo-1-ethylpyrazol-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 35324906
(4-bromo-1-ethylpyrazol-3-yl)-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 166338802
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 19478074
(4-chloro-5-nitro-1H-pyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone
CID 135747983
(4-chloro-1-methylpyrazol-3-yl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19279143
(1-ethyl-4-nitropyrazol-3-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19279283

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone (CID 19279446) is (4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone is CCn1cc(Br)c(C(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is QLRGYBUBGDDXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrCl2N4O/c1-2-24-11-13(18)16(21-24)17(25)23-7-5-22(6-8-23)10-12-3-4-14(19)15(20)9-12/h3-4,9,11H,2,5-8,10H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone?
(4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 446.18 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-ethylpyrazol-3-yl)-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19279446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).