3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

C8H12N2O — CID 118493356

IUPAC3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESCCc1n[nH]c2c1COCC2
InChIInChI=1S/C8H12N2O/c1-2-7-6-5-11-4-3-8(6)10-9-7/h2-5H2,1H3,(H,9,10)
InChIKeyORXPJKBWHUUEIR-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.04
Rot. Bonds1

About 3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (PubChem CID 118493356) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
PubChem CID118493356
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESCCc1n[nH]c2c1COCC2
InChIInChI=1S/C8H12N2O/c1-2-7-6-5-11-4-3-8(6)10-9-7/h2-5H2,1H3,(H,9,10)
InChIKeyORXPJKBWHUUEIR-UHFFFAOYSA-N
XLogP1.04
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The IUPAC name of 3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (CID 118493356) is 3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The canonical SMILES for 3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is CCc1n[nH]c2c1COCC2.
What is the InChIKey of 3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The InChIKey is ORXPJKBWHUUEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-7-6-5-11-4-3-8(6)10-9-7/h2-5H2,1H3,(H,9,10).
What are the key properties of 3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole has a molecular weight of 152.20 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is sourced from PubChem (CID 118493356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).