3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

C8H12N2O2 — CID 169498684

IUPAC3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESCOCc1n[nH]c2c1COCC2
InChIInChI=1S/C8H12N2O2/c1-11-5-8-6-4-12-3-2-7(6)9-10-8/h2-5H2,1H3,(H,9,10)
InChIKeyIANVJCBZZMOVKY-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.63
Rot. Bonds2

About 3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (PubChem CID 169498684) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
PubChem CID169498684
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESCOCc1n[nH]c2c1COCC2
InChIInChI=1S/C8H12N2O2/c1-11-5-8-6-4-12-3-2-7(6)9-10-8/h2-5H2,1H3,(H,9,10)
InChIKeyIANVJCBZZMOVKY-UHFFFAOYSA-N
XLogP0.63
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The IUPAC name of 3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (CID 169498684) is 3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The canonical SMILES for 3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is COCc1n[nH]c2c1COCC2.
What is the InChIKey of 3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The InChIKey is IANVJCBZZMOVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-11-5-8-6-4-12-3-2-7(6)9-10-8/h2-5H2,1H3,(H,9,10).
What are the key properties of 3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole has a molecular weight of 168.20 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is sourced from PubChem (CID 169498684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).