(4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone

C17H20BrFN4O — CID 24810866

IUPAC(4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESCn1cc(Br)c(C(=O)N2CCN(CCc3ccccc3F)CC2)n1
InChIInChI=1S/C17H20BrFN4O/c1-21-12-14(18)16(20-21)17(24)23-10-8-22(9-11-23)7-6-13-4-2-3-5-15(13)19/h2-5,12H,6-11H2,1H3
InChIKeyXXXWHRRPNACCJW-UHFFFAOYSA-N
MW395.28 g/mol
LogP2.32
Rot. Bonds4

About (4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone

(4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 24810866) has the molecular formula C17H20BrFN4O and a molecular weight of 395.28 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
PubChem CID24810866
Molecular FormulaC17H20BrFN4O
Molecular Weight395.28 g/mol
Exact Mass394.08
IUPAC Name(4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESCn1cc(Br)c(C(=O)N2CCN(CCc3ccccc3F)CC2)n1
InChIInChI=1S/C17H20BrFN4O/c1-21-12-14(18)16(20-21)17(24)23-10-8-22(9-11-23)7-6-13-4-2-3-5-15(13)19/h2-5,12H,6-11H2,1H3
InChIKeyXXXWHRRPNACCJW-UHFFFAOYSA-N
XLogP2.32
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrazol-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19279147
(4-bromophenyl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 113074261
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110412011
(4-bromo-1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 844633
[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 110412017
[2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 110411350
(3,4-dimethoxyphenyl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 110412036
(4-bromo-1-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 559877
2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110608314
2-(4-fluorophenyl)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412042
2-[4-(4-bromo-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-1-(4-pyrrolidin-1-ylphenyl)ethanone
CID 24810974
(4-fluorophenyl)-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]methanone
CID 110413339

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone (CID 24810866) is (4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone is Cn1cc(Br)c(C(=O)N2CCN(CCc3ccccc3F)CC2)n1.
What is the InChIKey of (4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is XXXWHRRPNACCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN4O/c1-21-12-14(18)16(20-21)17(24)23-10-8-22(9-11-23)7-6-13-4-2-3-5-15(13)19/h2-5,12H,6-11H2,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone?
(4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 395.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-3-yl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 24810866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).