(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone

C17H20BrFN4O — CID 19478917

IUPAC(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESCCn1ncc(Br)c1C(=O)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H20BrFN4O/c1-2-23-16(14(18)11-20-23)17(24)22-9-7-21(8-10-22)12-13-5-3-4-6-15(13)19/h3-6,11H,2,7-10,12H2,1H3
InChIKeyZCIAYOMLQGDKSO-UHFFFAOYSA-N
MW395.28 g/mol
LogP2.76
Rot. Bonds4

About (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone

(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19478917) has the molecular formula C17H20BrFN4O and a molecular weight of 395.28 g/mol. Its IUPAC name is (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19478917
Molecular FormulaC17H20BrFN4O
Molecular Weight395.28 g/mol
Exact Mass394.08
IUPAC Name(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESCCn1ncc(Br)c1C(=O)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H20BrFN4O/c1-2-23-16(14(18)11-20-23)17(24)22-9-7-21(8-10-22)12-13-5-3-4-6-15(13)19/h3-6,11H,2,7-10,12H2,1H3
InChIKeyZCIAYOMLQGDKSO-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19478906
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 19331820
(2,6-dimethoxyphenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 1112852
3-(4-bromo-3-methylpyrazol-1-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19560110
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 31113719
(4-chloro-1-ethylpyrazol-5-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19478958
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
CID 82122743
3-[4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
CID 19471293
(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109254005
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-(5-methylpyrazol-1-yl)ethanone
CID 19527457
[2-(difluoromethyl)pyrazol-3-yl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19479126
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19581278

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 19478917) is (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is CCn1ncc(Br)c1C(=O)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is ZCIAYOMLQGDKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrFN4O/c1-2-23-16(14(18)11-20-23)17(24)22-9-7-21(8-10-22)12-13-5-3-4-6-15(13)19/h3-6,11H,2,7-10,12H2,1H3.
What are the key properties of (4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone?
(4-bromo-1-ethylpyrazol-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 395.28 g/mol, XLogP of 2.76, 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-5-yl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19478917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).