(3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone

C20H18BrFN4O — CID 91887727

IUPAC(3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1
InChIInChI=1S/C20H18BrFN4O/c21-16-3-1-2-15(12-16)20(27)26-10-8-25(9-11-26)19-13-18(23-24-19)14-4-6-17(22)7-5-14/h1-7,12-13H,8-11H2,(H,23,24)
InChIKeyBDVCGTKRNXXARA-UHFFFAOYSA-N
MW429.29 g/mol
LogP3.94
Rot. Bonds3

About (3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone

(3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone (PubChem CID 91887727) has the molecular formula C20H18BrFN4O and a molecular weight of 429.29 g/mol. Its IUPAC name is (3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
PubChem CID91887727
Molecular FormulaC20H18BrFN4O
Molecular Weight429.29 g/mol
Exact Mass428.06
IUPAC Name(3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1
InChIInChI=1S/C20H18BrFN4O/c21-16-3-1-2-15(12-16)20(27)26-10-8-25(9-11-26)19-13-18(23-24-19)14-4-6-17(22)7-5-14/h1-7,12-13H,8-11H2,(H,23,24)
InChIKeyBDVCGTKRNXXARA-UHFFFAOYSA-N
XLogP3.94
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91914523
(3-bromophenyl)-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
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(3-bromophenyl)-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121107310
(3,4-difluorophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]methanone
CID 91887668
3-bromo-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91904828
(5-bromofuran-2-yl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]methanone
CID 91914489
[4-(dimethylamino)phenyl]-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]methanone
CID 75527193
(3-bromophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516750
(2-chloro-4-fluorophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91904740
1-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55656852
(3-fluoro-4-methoxyphenyl)-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
CID 75528106
(3-methoxyphenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepan-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone (CID 91887727) is (3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)CC1.
What is the InChIKey of (3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
The InChIKey is BDVCGTKRNXXARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN4O/c21-16-3-1-2-15(12-16)20(27)26-10-8-25(9-11-26)19-13-18(23-24-19)14-4-6-17(22)7-5-14/h1-7,12-13H,8-11H2,(H,23,24).
What are the key properties of (3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
(3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone has a molecular weight of 429.29 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 91887727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).