methyl 7-amino-1,4,6,7-tetrahydropyrano[3,4-d]pyrazole-3-carboxylate

C8H11N3O3 — CID 84667427

IUPACmethyl 7-amino-1,4,6,7-tetrahydropyrano[3,4-d]pyrazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1COCC2N
InChIInChI=1S/C8H11N3O3/c1-13-8(12)7-4-2-14-3-5(9)6(4)10-11-7/h5H,2-3,9H2,1H3,(H,10,11)
InChIKeySTSWNCKHMHUQCQ-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.27
Rot. Bonds1

About methyl 7-amino-1,4,6,7-tetrahydropyrano[3,4-d]pyrazole-3-carboxylate

methyl 7-amino-1,4,6,7-tetrahydropyrano[3,4-d]pyrazole-3-carboxylate (PubChem CID 84667427) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 7-amino-1,4,6,7-tetrahydropyrano[3,4-d]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-amino-1,4,6,7-tetrahydropyrano[3,4-d]pyrazole-3-carboxylate
PubChem CID84667427
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Namemethyl 7-amino-1,4,6,7-tetrahydropyrano[3,4-d]pyrazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1COCC2N
InChIInChI=1S/C8H11N3O3/c1-13-8(12)7-4-2-14-3-5(9)6(4)10-11-7/h5H,2-3,9H2,1H3,(H,10,11)
InChIKeySTSWNCKHMHUQCQ-UHFFFAOYSA-N
XLogP-0.27
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-amino-1,4,6,7-tetrahydropyrano[3,4-d]pyrazole-3-carboxylate?
The IUPAC name of methyl 7-amino-1,4,6,7-tetrahydropyrano[3,4-d]pyrazole-3-carboxylate (CID 84667427) is methyl 7-amino-1,4,6,7-tetrahydropyrano[3,4-d]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 7-amino-1,4,6,7-tetrahydropyrano[3,4-d]pyrazole-3-carboxylate?
The canonical SMILES for methyl 7-amino-1,4,6,7-tetrahydropyrano[3,4-d]pyrazole-3-carboxylate is COC(=O)c1n[nH]c2c1COCC2N.
What is the InChIKey of methyl 7-amino-1,4,6,7-tetrahydropyrano[3,4-d]pyrazole-3-carboxylate?
The InChIKey is STSWNCKHMHUQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-13-8(12)7-4-2-14-3-5(9)6(4)10-11-7/h5H,2-3,9H2,1H3,(H,10,11).
What are the key properties of methyl 7-amino-1,4,6,7-tetrahydropyrano[3,4-d]pyrazole-3-carboxylate?
methyl 7-amino-1,4,6,7-tetrahydropyrano[3,4-d]pyrazole-3-carboxylate has a molecular weight of 197.19 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-amino-1,4,6,7-tetrahydropyrano[3,4-d]pyrazole-3-carboxylate is sourced from PubChem (CID 84667427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).