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

C20H18BrClN4O — CID 75527324

IUPAC(3-bromophenyl)-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1
InChIInChI=1S/C20H18BrClN4O/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)
InChIKeyAXQBRVPXTJPZMZ-UHFFFAOYSA-N
MW445.75 g/mol
LogP4.45
Rot. Bonds3

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

(3-bromophenyl)-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone (PubChem CID 75527324) has the molecular formula C20H18BrClN4O and a molecular weight of 445.75 g/mol. Its IUPAC name is (3-bromophenyl)-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
PubChem CID75527324
Molecular FormulaC20H18BrClN4O
Molecular Weight445.75 g/mol
Exact Mass444.04
IUPAC Name(3-bromophenyl)-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(Br)c1)N1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1
InChIInChI=1S/C20H18BrClN4O/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)
InChIKeyAXQBRVPXTJPZMZ-UHFFFAOYSA-N
XLogP4.45
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.75
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromophenyl)-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone
CID 91887727
(3-bromophenyl)-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
CID 91914523
4-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazine-1-carbonyl]benzonitrile
CID 75527295
[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]-(3,4-diethoxyphenyl)methanone
CID 91904660
6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one
CID 53081896
[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 91904675
(3-bromophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325535
(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
[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 91887606
(3-bromophenyl)-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516750
2-(2-chloro-6-fluorophenyl)-1-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]ethanone
CID 75527325

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone (CID 75527324) is (3-bromophenyl)-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone is O=C(c1cccc(Br)c1)N1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1.
What is the InChIKey of (3-bromophenyl)-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
The InChIKey is AXQBRVPXTJPZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClN4O/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-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone?
(3-bromophenyl)-[4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone has a molecular weight of 445.75 g/mol, XLogP of 4.45, 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-chlorophenyl)-1H-pyrazol-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 75527324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).