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

C7H8N2O3 — CID 22477670

IUPAC1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1COCC2
InChIInChI=1S/C7H8N2O3/c10-7(11)6-4-3-12-2-1-5(4)8-9-6/h1-3H2,(H,8,9)(H,10,11)
InChIKeyYICMXCDJSOOXSM-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.18
Rot. Bonds1

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

1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid (PubChem CID 22477670) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid
PubChem CID22477670
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1COCC2
InChIInChI=1S/C7H8N2O3/c10-7(11)6-4-3-12-2-1-5(4)8-9-6/h1-3H2,(H,8,9)(H,10,11)
InChIKeyYICMXCDJSOOXSM-UHFFFAOYSA-N
XLogP0.18
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid?
The IUPAC name of 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid (CID 22477670) is 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid?
The canonical SMILES for 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid is O=C(O)c1n[nH]c2c1COCC2.
What is the InChIKey of 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid?
The InChIKey is YICMXCDJSOOXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c10-7(11)6-4-3-12-2-1-5(4)8-9-6/h1-3H2,(H,8,9)(H,10,11).
What are the key properties of 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid?
1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylic acid is sourced from PubChem (CID 22477670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).