3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

C9H14N2O — CID 58720019

IUPAC3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESCC(C)c1n[nH]c2c1COCC2
InChIInChI=1S/C9H14N2O/c1-6(2)9-7-5-12-4-3-8(7)10-11-9/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyOJZAWJWSGHZPLC-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.61
Rot. Bonds1

About 3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole

3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (PubChem CID 58720019) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
PubChem CID58720019
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESCC(C)c1n[nH]c2c1COCC2
InChIInChI=1S/C9H14N2O/c1-6(2)9-7-5-12-4-3-8(7)10-11-9/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyOJZAWJWSGHZPLC-UHFFFAOYSA-N
XLogP1.61
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The IUPAC name of 3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (CID 58720019) is 3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The canonical SMILES for 3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is CC(C)c1n[nH]c2c1COCC2.
What is the InChIKey of 3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The InChIKey is OJZAWJWSGHZPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)9-7-5-12-4-3-8(7)10-11-9/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole has a molecular weight of 166.22 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is sourced from PubChem (CID 58720019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).