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

C21H25ClN4O — CID 134088288

IUPAC[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C3CC(c4ccc(Cl)cc4)NN3)CC2)cc1
InChIInChI=1S/C21H25ClN4O/c1-15-2-4-17(5-3-15)21(27)26-12-10-25(11-13-26)20-14-19(23-24-20)16-6-8-18(22)9-7-16/h2-9,19-20,23-24H,10-14H2,1H3
InChIKeyJBGHSXXWVYPUAQ-UHFFFAOYSA-N
MW384.91 g/mol
LogP2.97
Rot. Bonds3

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

[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 134088288) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is [4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID134088288
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC Name[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C3CC(c4ccc(Cl)cc4)NN3)CC2)cc1
InChIInChI=1S/C21H25ClN4O/c1-15-2-4-17(5-3-15)21(27)26-12-10-25(11-13-26)20-14-19(23-24-20)16-6-8-18(22)9-7-16/h2-9,19-20,23-24H,10-14H2,1H3
InChIKeyJBGHSXXWVYPUAQ-UHFFFAOYSA-N
XLogP2.97
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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]-(2-fluorophenyl)methanone
CID 134088281
[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 134098789
(3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098817
N-[4-[4-(5-phenylpyrazolidin-3-yl)piperazine-1-carbonyl]phenyl]acetamide
CID 134088257
[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 75950261
(2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 134088241
(5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 134088263
(4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098841
(2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098851
1-[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 134088298
N-[1-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-4-(dimethylamino)benzamide
CID 134098939

Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone (CID 134088288) is [4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(C3CC(c4ccc(Cl)cc4)NN3)CC2)cc1.
What is the InChIKey of [4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is JBGHSXXWVYPUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c1-15-2-4-17(5-3-15)21(27)26-12-10-25(11-13-26)20-14-19(23-24-20)16-6-8-18(22)9-7-16/h2-9,19-20,23-24H,10-14H2,1H3.
What are the key properties of [4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone?
[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 384.91 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 134088288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).