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

C24H36N2O2 — CID 155522138

IUPAC1-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazole
SMILESCCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1cnn(CC)c1-2
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)18-16-25-26(9-2)22(18)21/h14-16H,8-13H2,1-7H3
InChIKeyANGRMAMXIHZAMM-UHFFFAOYSA-N
MW384.56 g/mol
LogP6.45
Rot. Bonds8

About 1-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazole

1-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazole (PubChem CID 155522138) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 1-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name1-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazole
PubChem CID155522138
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name1-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazole
SMILESCCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1cnn(CC)c1-2
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)18-16-25-26(9-2)22(18)21/h14-16H,8-13H2,1-7H3
InChIKeyANGRMAMXIHZAMM-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 1-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazole?
The IUPAC name of 1-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazole (CID 155522138) is 1-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazole.
What is the SMILES notation for 1-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazole?
The canonical SMILES for 1-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazole is CCCCCCC(C)(C)c1cc(OC)c2c(c1)OC(C)(C)c1cnn(CC)c1-2.
What is the InChIKey of 1-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazole?
The InChIKey is ANGRMAMXIHZAMM-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)18-16-25-26(9-2)22(18)21/h14-16H,8-13H2,1-7H3.
What are the key properties of 1-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazole?
1-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]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 1-ethyl-9-methoxy-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazole is sourced from PubChem (CID 155522138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).