3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole

C16H12N2O — CID 1236282

IUPAC3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESc1ccc(-c2n[nH]c3c2COc2ccccc2-3)cc1
InChIInChI=1S/C16H12N2O/c1-2-6-11(7-3-1)15-13-10-19-14-9-5-4-8-12(14)16(13)18-17-15/h1-9H,10H2,(H,17,18)
InChIKeyARXFBCCVCDACKG-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.64
Rot. Bonds1

About 3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole

3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole (PubChem CID 1236282) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole
PubChem CID1236282
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESc1ccc(-c2n[nH]c3c2COc2ccccc2-3)cc1
InChIInChI=1S/C16H12N2O/c1-2-6-11(7-3-1)15-13-10-19-14-9-5-4-8-12(14)16(13)18-17-15/h1-9H,10H2,(H,17,18)
InChIKeyARXFBCCVCDACKG-UHFFFAOYSA-N
XLogP3.64
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The IUPAC name of 3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole (CID 1236282) is 3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole.
What is the SMILES notation for 3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The canonical SMILES for 3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole is c1ccc(-c2n[nH]c3c2COc2ccccc2-3)cc1.
What is the InChIKey of 3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
The InChIKey is ARXFBCCVCDACKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-2-6-11(7-3-1)15-13-10-19-14-9-5-4-8-12(14)16(13)18-17-15/h1-9H,10H2,(H,17,18).
What are the key properties of 3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole?
3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole has a molecular weight of 248.29 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,4-dihydrochromeno[3,4-d]pyrazole is sourced from PubChem (CID 1236282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).