(2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone

C20H22Cl2N4O — CID 134088241

IUPAC(2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCN(C2CC(c3ccccc3)NN2)CC1
InChIInChI=1S/C20H22Cl2N4O/c21-15-6-7-17(22)16(12-15)20(27)26-10-8-25(9-11-26)19-13-18(23-24-19)14-4-2-1-3-5-14/h1-7,12,18-19,23-24H,8-11,13H2
InChIKeyBFTRQUANPHCMGQ-UHFFFAOYSA-N
MW405.33 g/mol
LogP3.32
Rot. Bonds3

About (2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone

(2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone (PubChem CID 134088241) has the molecular formula C20H22Cl2N4O and a molecular weight of 405.33 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
PubChem CID134088241
Molecular FormulaC20H22Cl2N4O
Molecular Weight405.33 g/mol
Exact Mass404.12
IUPAC Name(2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCN(C2CC(c3ccccc3)NN2)CC1
InChIInChI=1S/C20H22Cl2N4O/c21-15-6-7-17(22)16(12-15)20(27)26-10-8-25(9-11-26)19-13-18(23-24-19)14-4-2-1-3-5-14/h1-7,12,18-19,23-24H,8-11,13H2
InChIKeyBFTRQUANPHCMGQ-UHFFFAOYSA-N
XLogP3.32
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 134088263
[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 134088281
(4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098841
[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 75950261
[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 75950255
(4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134088334
[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 134088288
1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 75950258
[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 134098789
(2-bromophenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098796
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
N-(2,5-dichlorophenyl)-5-phenylpyrazolidine-3-carboxamide
CID 122363085

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone (CID 134088241) is (2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone is O=C(c1cc(Cl)ccc1Cl)N1CCN(C2CC(c3ccccc3)NN2)CC1.
What is the InChIKey of (2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone?
The InChIKey is BFTRQUANPHCMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O/c21-15-6-7-17(22)16(12-15)20(27)26-10-8-25(9-11-26)19-13-18(23-24-19)14-4-2-1-3-5-14/h1-7,12,18-19,23-24H,8-11,13H2.
What are the key properties of (2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone?
(2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone has a molecular weight of 405.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 134088241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).