[4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone

C23H25BrN4O2 — CID 46438437

IUPAC[4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCCOc1ccc(CN2CCN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)CC2)cc1
InChIInChI=1S/C23H25BrN4O2/c1-2-30-22-9-3-18(4-10-22)16-26-11-13-27(14-12-26)23(29)19-5-7-21(8-6-19)28-17-20(24)15-25-28/h3-10,15,17H,2,11-14,16H2,1H3
InChIKeyUVFPGXDOCYPHHV-UHFFFAOYSA-N
MW469.38 g/mol
LogP3.99
Rot. Bonds6

About [4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone

[4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 46438437) has the molecular formula C23H25BrN4O2 and a molecular weight of 469.38 g/mol. Its IUPAC name is [4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
PubChem CID46438437
Molecular FormulaC23H25BrN4O2
Molecular Weight469.38 g/mol
Exact Mass468.12
IUPAC Name[4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
SMILESCCOc1ccc(CN2CCN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)CC2)cc1
InChIInChI=1S/C23H25BrN4O2/c1-2-30-22-9-3-18(4-10-22)16-26-11-13-27(14-12-26)23(29)19-5-7-21(8-6-19)28-17-20(24)15-25-28/h3-10,15,17H,2,11-14,16H2,1H3
InChIKeyUVFPGXDOCYPHHV-UHFFFAOYSA-N
XLogP3.99
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 34563464
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 163326478
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 35323460
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(4-methylsulfinylphenyl)methanone
CID 51278901
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 55774534
[4-(2-bromoethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 80661218
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(4-propoxyphenyl)methanone
CID 17349258
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 39191568
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754507
4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide
CID 46438180

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone (CID 46438437) is [4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone is CCOc1ccc(CN2CCN(C(=O)c3ccc(-n4cc(Br)cn4)cc3)CC2)cc1.
What is the InChIKey of [4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is UVFPGXDOCYPHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O2/c1-2-30-22-9-3-18(4-10-22)16-26-11-13-27(14-12-26)23(29)19-5-7-21(8-6-19)28-17-20(24)15-25-28/h3-10,15,17H,2,11-14,16H2,1H3.
What are the key properties of [4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone?
[4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 469.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromopyrazol-1-yl)phenyl]-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 46438437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).