[4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone

C22H27ClN4O3 — CID 75283616

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone
SMILESCOc1ccc(C2CC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)NN2)c(OC)c1
InChIInChI=1S/C22H27ClN4O3/c1-29-17-6-7-18(21(13-17)30-2)19-14-20(25-24-19)22(28)27-10-8-26(9-11-27)16-5-3-4-15(23)12-16/h3-7,12-13,19-20,24-25H,8-11,14H2,1-2H3
InChIKeyPNXAMRCPRXPKQS-UHFFFAOYSA-N
MW430.94 g/mol
LogP2.61
Rot. Bonds5

About [4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone (PubChem CID 75283616) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone
PubChem CID75283616
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone
SMILESCOc1ccc(C2CC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)NN2)c(OC)c1
InChIInChI=1S/C22H27ClN4O3/c1-29-17-6-7-18(21(13-17)30-2)19-14-20(25-24-19)22(28)27-10-8-26(9-11-27)16-5-3-4-15(23)12-16/h3-7,12-13,19-20,24-25H,8-11,14H2,1-2H3
InChIKeyPNXAMRCPRXPKQS-UHFFFAOYSA-N
XLogP2.61
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 75283611
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 75283629
[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75283620
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-methylphenyl)pyrazolidin-3-yl]methanone
CID 74487434
[4-(3-methoxyphenyl)piperazin-1-yl]-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone
CID 134067077
[5-(3-methoxyphenyl)pyrazolidin-3-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 75234418
(4S)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 8550212
[5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 75584329
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 134086106
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
CID 126058914
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24680226
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(2,4-dimethoxyphenyl)-2-methyl-5-phenylpyrrol-3-yl]methanone
CID 42665729

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone (CID 75283616) is [4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone is COc1ccc(C2CC(C(=O)N3CCN(c4cccc(Cl)c4)CC3)NN2)c(OC)c1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone?
The InChIKey is PNXAMRCPRXPKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c1-29-17-6-7-18(21(13-17)30-2)19-14-20(25-24-19)22(28)27-10-8-26(9-11-27)16-5-3-4-15(23)12-16/h3-7,12-13,19-20,24-25H,8-11,14H2,1-2H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone has a molecular weight of 430.94 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone is sourced from PubChem (CID 75283616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).