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

C6H7BrN2O — CID 84618178

IUPAC3-bromo-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESBrc1n[nH]c2c1COCC2
InChIInChI=1S/C6H7BrN2O/c7-6-4-3-10-2-1-5(4)8-9-6/h1-3H2,(H,8,9)
InChIKeyCYXPSFVOFCJXNC-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.24
Rot. Bonds

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

3-bromo-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (PubChem CID 84618178) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 3-bromo-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-bromo-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
PubChem CID84618178
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name3-bromo-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESBrc1n[nH]c2c1COCC2
InChIInChI=1S/C6H7BrN2O/c7-6-4-3-10-2-1-5(4)8-9-6/h1-3H2,(H,8,9)
InChIKeyCYXPSFVOFCJXNC-UHFFFAOYSA-N
XLogP1.24
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The IUPAC name of 3-bromo-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (CID 84618178) is 3-bromo-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-bromo-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The canonical SMILES for 3-bromo-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is Brc1n[nH]c2c1COCC2.
What is the InChIKey of 3-bromo-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The InChIKey is CYXPSFVOFCJXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c7-6-4-3-10-2-1-5(4)8-9-6/h1-3H2,(H,8,9).
What are the key properties of 3-bromo-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
3-bromo-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole has a molecular weight of 203.04 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is sourced from PubChem (CID 84618178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).