1,3a,4,7a-tetrahydropyrano[4,3-c]pyrazole

C6H8N2O — CID 164842731

IUPAC1,3a,4,7a-tetrahydropyrano[4,3-c]pyrazole
SMILESC1=CC2NN=CC2CO1
InChIInChI=1S/C6H8N2O/c1-2-9-4-5-3-7-8-6(1)5/h1-3,5-6,8H,4H2
InChIKeyJRKAPAAMDIRORO-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.10
Rot. Bonds

About 1,3a,4,7a-tetrahydropyrano[4,3-c]pyrazole

1,3a,4,7a-tetrahydropyrano[4,3-c]pyrazole (PubChem CID 164842731) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1,3a,4,7a-tetrahydropyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name1,3a,4,7a-tetrahydropyrano[4,3-c]pyrazole
PubChem CID164842731
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1,3a,4,7a-tetrahydropyrano[4,3-c]pyrazole
SMILESC1=CC2NN=CC2CO1
InChIInChI=1S/C6H8N2O/c1-2-9-4-5-3-7-8-6(1)5/h1-3,5-6,8H,4H2
InChIKeyJRKAPAAMDIRORO-UHFFFAOYSA-N
XLogP0.10
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3a,4,7a-tetrahydropyrano[4,3-c]pyrazole?
The IUPAC name of 1,3a,4,7a-tetrahydropyrano[4,3-c]pyrazole (CID 164842731) is 1,3a,4,7a-tetrahydropyrano[4,3-c]pyrazole.
What is the SMILES notation for 1,3a,4,7a-tetrahydropyrano[4,3-c]pyrazole?
The canonical SMILES for 1,3a,4,7a-tetrahydropyrano[4,3-c]pyrazole is C1=CC2NN=CC2CO1.
What is the InChIKey of 1,3a,4,7a-tetrahydropyrano[4,3-c]pyrazole?
The InChIKey is JRKAPAAMDIRORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-9-4-5-3-7-8-6(1)5/h1-3,5-6,8H,4H2.
What are the key properties of 1,3a,4,7a-tetrahydropyrano[4,3-c]pyrazole?
1,3a,4,7a-tetrahydropyrano[4,3-c]pyrazole has a molecular weight of 124.14 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,4,7a-tetrahydropyrano[4,3-c]pyrazole is sourced from PubChem (CID 164842731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).