cyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone

C26H36N4O3 — CID 127029837

IUPACcyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)C4CCCCC4)CC3)nc1-2
InChIInChI=1S/C26H36N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h9-10,17-19H,4-8,11-16H2,1-3H3
InChIKeyXZWHYCOUQRVXMF-UHFFFAOYSA-N
MW452.60 g/mol
LogP3.91
Rot. Bonds5

About cyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone

cyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 127029837) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is cyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone
PubChem CID127029837
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC Namecyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)C4CCCCC4)CC3)nc1-2
InChIInChI=1S/C26H36N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h9-10,17-19H,4-8,11-16H2,1-3H3
InChIKeyXZWHYCOUQRVXMF-UHFFFAOYSA-N
XLogP3.91
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-(7-Methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 127029838
[4-[2-(7-Methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 127030161
Furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 127034069
[4-[2-(7-Methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-phenylmethanone
CID 127034071
[4-[2-(7-Methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 127034073
1-[4-[2-(7-Methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 127030160
N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 127033483
N-[(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 127033786
N-[(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 127034064
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)methyl]acetamide
CID 127034066
N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 127034067
Furan-2-yl-[4-[2-(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 127034068

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone (CID 127029837) is cyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone is COc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)C4CCCCC4)CC3)nc1-2.
What is the InChIKey of cyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is XZWHYCOUQRVXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-26(2)22-18-30(27-24(22)21-10-9-20(32-3)17-23(21)33-26)16-13-28-11-14-29(15-12-28)25(31)19-7-5-4-6-8-19/h9-10,17-19H,4-8,11-16H2,1-3H3.
What are the key properties of cyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone?
cyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 452.60 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[2-(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 127029837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).