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

C23H34N2O2 — CID 135936178

IUPAC1-ethyl-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazol-9-ol
SMILESCCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1cnn(CC)c1-2
InChIInChI=1S/C23H34N2O2/c1-7-9-10-11-12-22(3,4)16-13-18(26)20-19(14-16)27-23(5,6)17-15-24-25(8-2)21(17)20/h13-15,26H,7-12H2,1-6H3
InChIKeyGIVZCECIJUOSNF-UHFFFAOYSA-N
MW370.54 g/mol
LogP6.15
Rot. Bonds7

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

1-ethyl-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazol-9-ol (PubChem CID 135936178) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-ethyl-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazol-9-ol.

Molecular Properties

Compound Name1-ethyl-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazol-9-ol
PubChem CID135936178
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name1-ethyl-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazol-9-ol
SMILESCCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1cnn(CC)c1-2
InChIInChI=1S/C23H34N2O2/c1-7-9-10-11-12-22(3,4)16-13-18(26)20-19(14-16)27-23(5,6)17-15-24-25(8-2)21(17)20/h13-15,26H,7-12H2,1-6H3
InChIKeyGIVZCECIJUOSNF-UHFFFAOYSA-N
XLogP6.15
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 56.15
H-Bond Donors ≤ 51
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-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazol-9-ol?
The IUPAC name of 1-ethyl-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazol-9-ol (CID 135936178) is 1-ethyl-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazol-9-ol.
What is the SMILES notation for 1-ethyl-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazol-9-ol?
The canonical SMILES for 1-ethyl-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazol-9-ol is CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)c1cnn(CC)c1-2.
What is the InChIKey of 1-ethyl-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazol-9-ol?
The InChIKey is GIVZCECIJUOSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-7-9-10-11-12-22(3,4)16-13-18(26)20-19(14-16)27-23(5,6)17-15-24-25(8-2)21(17)20/h13-15,26H,7-12H2,1-6H3.
What are the key properties of 1-ethyl-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazol-9-ol?
1-ethyl-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazol-9-ol has a molecular weight of 370.54 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,4-dimethyl-7-(2-methyloctan-2-yl)chromeno[3,4-d]pyrazol-9-ol is sourced from PubChem (CID 135936178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).