3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-8-ol

C22H18N2O2 — CID 127049309

IUPAC3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-8-ol
SMILESOc1ccc2c(c1)C1=NNC(c3ccccc3)C1C(c1ccccc1)O2
InChIInChI=1S/C22H18N2O2/c25-16-11-12-18-17(13-16)21-19(22(26-18)15-9-5-2-6-10-15)20(23-24-21)14-7-3-1-4-8-14/h1-13,19-20,22-23,25H
InChIKeyZHOSBMNCIFOAEH-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.19
Rot. Bonds2

About 3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-8-ol

3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-8-ol (PubChem CID 127049309) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-8-ol.

Molecular Properties

Compound Name3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-8-ol
PubChem CID127049309
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-8-ol
SMILESOc1ccc2c(c1)C1=NNC(c3ccccc3)C1C(c1ccccc1)O2
InChIInChI=1S/C22H18N2O2/c25-16-11-12-18-17(13-16)21-19(22(26-18)15-9-5-2-6-10-15)20(23-24-21)14-7-3-1-4-8-14/h1-13,19-20,22-23,25H
InChIKeyZHOSBMNCIFOAEH-UHFFFAOYSA-N
XLogP4.19
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-8-ol?
The IUPAC name of 3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-8-ol (CID 127049309) is 3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-8-ol.
What is the SMILES notation for 3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-8-ol?
The canonical SMILES for 3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-8-ol is Oc1ccc2c(c1)C1=NNC(c3ccccc3)C1C(c1ccccc1)O2.
What is the InChIKey of 3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-8-ol?
The InChIKey is ZHOSBMNCIFOAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-16-11-12-18-17(13-16)21-19(22(26-18)15-9-5-2-6-10-15)20(23-24-21)14-7-3-1-4-8-14/h1-13,19-20,22-23,25H.
What are the key properties of 3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-8-ol?
3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-8-ol has a molecular weight of 342.40 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazol-8-ol is sourced from PubChem (CID 127049309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).