(5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone

C21H25ClN4O2 — CID 134088263

IUPAC(5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN(C2CC(c3ccccc3)NN2)CC1
InChIInChI=1S/C21H25ClN4O2/c1-28-19-8-7-16(22)13-17(19)21(27)26-11-9-25(10-12-26)20-14-18(23-24-20)15-5-3-2-4-6-15/h2-8,13,18,20,23-24H,9-12,14H2,1H3
InChIKeyFNVGODOHRDBODA-UHFFFAOYSA-N
MW400.91 g/mol
LogP2.67
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone

(5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone (PubChem CID 134088263) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
PubChem CID134088263
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name(5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN(C2CC(c3ccccc3)NN2)CC1
InChIInChI=1S/C21H25ClN4O2/c1-28-19-8-7-16(22)13-17(19)21(27)26-11-9-25(10-12-26)20-14-18(23-24-20)15-5-3-2-4-6-15/h2-8,13,18,20,23-24H,9-12,14H2,1H3
InChIKeyFNVGODOHRDBODA-UHFFFAOYSA-N
XLogP2.67
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 134088241
(4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098841
[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
5-chloro-N-[1-[5-(4-fluorophenyl)pyrazolidin-3-yl]piperidin-4-yl]-2-methoxybenzamide
CID 134099058
(2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098851
[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 134088288
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone
CID 108546172
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 75950261
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methylphenyl)methanone
CID 108546198

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone (CID 134088263) is (5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone is COc1ccc(Cl)cc1C(=O)N1CCN(C2CC(c3ccccc3)NN2)CC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone?
The InChIKey is FNVGODOHRDBODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-28-19-8-7-16(22)13-17(19)21(27)26-11-9-25(10-12-26)20-14-18(23-24-20)15-5-3-2-4-6-15/h2-8,13,18,20,23-24H,9-12,14H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone?
(5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone has a molecular weight of 400.91 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 134088263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).