2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole

C24H36N2O2 — CID 155519694

IUPAC2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole
SMILESCCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1cn(CC)nc1-2
InChIInChI=1S/C24H36N2O2/c1-8-10-11-12-13-23(3,4)17-14-19(27-7)21-20(15-17)28-24(5,6)18-16-26(9-2)25-22(18)21/h14-16H,8-13H2,1-7H3
InChIKeyXQFDIPCNDBMEQD-UHFFFAOYSA-N
MW384.56 g/mol
LogP6.45
Rot. Bonds8

About 2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole

2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole (PubChem CID 155519694) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole.

Molecular Properties

Compound Name2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole
PubChem CID155519694
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole
SMILESCCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1cn(CC)nc1-2
InChIInChI=1S/C24H36N2O2/c1-8-10-11-12-13-23(3,4)17-14-19(27-7)21-20(15-17)28-24(5,6)18-16-26(9-2)25-22(18)21/h14-16H,8-13H2,1-7H3
InChIKeyXQFDIPCNDBMEQD-UHFFFAOYSA-N
XLogP6.45
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.56
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole?
The IUPAC name of 2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole (CID 155519694) is 2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole.
What is the SMILES notation for 2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole?
The canonical SMILES for 2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole is CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1cn(CC)nc1-2.
What is the InChIKey of 2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole?
The InChIKey is XQFDIPCNDBMEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-8-10-11-12-13-23(3,4)17-14-19(27-7)21-20(15-17)28-24(5,6)18-16-26(9-2)25-22(18)21/h14-16H,8-13H2,1-7H3.
What are the key properties of 2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole?
2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole has a molecular weight of 384.56 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[4,3-c]pyrazole is sourced from PubChem (CID 155519694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).