1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

C21H32N4O4 — CID 95850115

IUPAC1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCN(Cc3c(C)nn(C)c3OC)CC2)cc(OC)c1OC
InChIInChI=1S/C21H32N4O4/c1-15-17(21(29-6)23(2)22-15)14-25-9-7-24(8-10-25)13-16-11-18(26-3)20(28-5)19(12-16)27-4/h11-12H,7-10,13-14H2,1-6H3
InChIKeyZUUCVQVMSVCZEX-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.08
Rot. Bonds8

About 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine (PubChem CID 95850115) has the molecular formula C21H32N4O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
PubChem CID95850115
Molecular FormulaC21H32N4O4
Molecular Weight404.51 g/mol
Exact Mass404.24
IUPAC Name1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
SMILESCOc1cc(CN2CCN(Cc3c(C)nn(C)c3OC)CC2)cc(OC)c1OC
InChIInChI=1S/C21H32N4O4/c1-15-17(21(29-6)23(2)22-15)14-25-9-7-24(8-10-25)13-16-11-18(26-3)20(28-5)19(12-16)27-4/h11-12H,7-10,13-14H2,1-6H3
InChIKeyZUUCVQVMSVCZEX-UHFFFAOYSA-N
XLogP2.08
TPSA61.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine (CID 95850115) is 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine is COc1cc(CN2CCN(Cc3c(C)nn(C)c3OC)CC2)cc(OC)c1OC.
What is the InChIKey of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
The InChIKey is ZUUCVQVMSVCZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4/c1-15-17(21(29-6)23(2)22-15)14-25-9-7-24(8-10-25)13-16-11-18(26-3)20(28-5)19(12-16)27-4/h11-12H,7-10,13-14H2,1-6H3.
What are the key properties of 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine?
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine has a molecular weight of 404.51 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 95850115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).