(4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone

C20H22ClFN4O — CID 134088334

IUPAC(4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C2CC(c3ccc(F)cc3)NN2)CC1
InChIInChI=1S/C20H22ClFN4O/c21-16-5-1-15(2-6-16)20(27)26-11-9-25(10-12-26)19-13-18(23-24-19)14-3-7-17(22)8-4-14/h1-8,18-19,23-24H,9-13H2
InChIKeyOFMIPRRTWSTDFO-UHFFFAOYSA-N
MW388.87 g/mol
LogP2.80
Rot. Bonds3

About (4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone

(4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone (PubChem CID 134088334) has the molecular formula C20H22ClFN4O and a molecular weight of 388.87 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
PubChem CID134088334
Molecular FormulaC20H22ClFN4O
Molecular Weight388.87 g/mol
Exact Mass388.15
IUPAC Name(4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCN(C2CC(c3ccc(F)cc3)NN2)CC1
InChIInChI=1S/C20H22ClFN4O/c21-16-5-1-15(2-6-16)20(27)26-11-9-25(10-12-26)19-13-18(23-24-19)14-3-7-17(22)8-4-14/h1-8,18-19,23-24H,9-13H2
InChIKeyOFMIPRRTWSTDFO-UHFFFAOYSA-N
XLogP2.80
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 134088288
[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 134088281
[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 75950261
[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 134098789
(2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 134088241
N-[4-[4-(5-phenylpyrazolidin-3-yl)piperazine-1-carbonyl]phenyl]acetamide
CID 134088257
(3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098817
(4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098841
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
2-(2-bromophenyl)-1-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]ethanone
CID 134088341
(5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 134088263
1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 75950258

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone (CID 134088334) is (4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCN(C2CC(c3ccc(F)cc3)NN2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
The InChIKey is OFMIPRRTWSTDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O/c21-16-5-1-15(2-6-16)20(27)26-11-9-25(10-12-26)19-13-18(23-24-19)14-3-7-17(22)8-4-14/h1-8,18-19,23-24H,9-13H2.
What are the key properties of (4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone has a molecular weight of 388.87 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 134088334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).