6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole

C12H12N2O2 — CID 45094431

IUPAC6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESCCOc1cccc2c1OCc1cn[nH]c1-2
InChIInChI=1S/C12H12N2O2/c1-2-15-10-5-3-4-9-11-8(6-13-14-11)7-16-12(9)10/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyRTVFBYHQFLMUSH-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.37
Rot. Bonds2

About 6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole

6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole (PubChem CID 45094431) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole
PubChem CID45094431
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESCCOc1cccc2c1OCc1cn[nH]c1-2
InChIInChI=1S/C12H12N2O2/c1-2-15-10-5-3-4-9-11-8(6-13-14-11)7-16-12(9)10/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyRTVFBYHQFLMUSH-UHFFFAOYSA-N
XLogP2.37
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole?
The IUPAC name of 6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole (CID 45094431) is 6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole.
What is the SMILES notation for 6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole?
The canonical SMILES for 6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole is CCOc1cccc2c1OCc1cn[nH]c1-2.
What is the InChIKey of 6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole?
The InChIKey is RTVFBYHQFLMUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-15-10-5-3-4-9-11-8(6-13-14-11)7-16-12(9)10/h3-6H,2,7H2,1H3,(H,13,14).
What are the key properties of 6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole?
6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole has a molecular weight of 216.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1,4-dihydrochromeno[3,4-d]pyrazole is sourced from PubChem (CID 45094431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).