1,6-dihydropyrano[3,2-d]pyrazole

C6H6N2O — CID 59151493

IUPAC1,6-dihydropyrano[3,2-d]pyrazole
SMILESC1=Cc2cn[nH]c2OC1
InChIInChI=1S/C6H6N2O/c1-2-5-4-7-8-6(5)9-3-1/h1-2,4H,3H2,(H,7,8)
InChIKeyHWTQBWSWGGHSMC-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.82
Rot. Bonds

About 1,6-dihydropyrano[3,2-d]pyrazole

1,6-dihydropyrano[3,2-d]pyrazole (PubChem CID 59151493) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 1,6-dihydropyrano[3,2-d]pyrazole.

Molecular Properties

Compound Name1,6-dihydropyrano[3,2-d]pyrazole
PubChem CID59151493
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name1,6-dihydropyrano[3,2-d]pyrazole
SMILESC1=Cc2cn[nH]c2OC1
InChIInChI=1S/C6H6N2O/c1-2-5-4-7-8-6(5)9-3-1/h1-2,4H,3H2,(H,7,8)
InChIKeyHWTQBWSWGGHSMC-UHFFFAOYSA-N
XLogP0.82
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dihydropyrano[3,2-d]pyrazole?
The IUPAC name of 1,6-dihydropyrano[3,2-d]pyrazole (CID 59151493) is 1,6-dihydropyrano[3,2-d]pyrazole.
What is the SMILES notation for 1,6-dihydropyrano[3,2-d]pyrazole?
The canonical SMILES for 1,6-dihydropyrano[3,2-d]pyrazole is C1=Cc2cn[nH]c2OC1.
What is the InChIKey of 1,6-dihydropyrano[3,2-d]pyrazole?
The InChIKey is HWTQBWSWGGHSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-2-5-4-7-8-6(5)9-3-1/h1-2,4H,3H2,(H,7,8).
What are the key properties of 1,6-dihydropyrano[3,2-d]pyrazole?
1,6-dihydropyrano[3,2-d]pyrazole has a molecular weight of 122.13 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydropyrano[3,2-d]pyrazole is sourced from PubChem (CID 59151493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).