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

C11H16N2O — CID 169498873

IUPAC3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESC1CCC(c2n[nH]c3c2COCC3)C1
InChIInChI=1S/C11H16N2O/c1-2-4-8(3-1)11-9-7-14-6-5-10(9)12-13-11/h8H,1-7H2,(H,12,13)
InChIKeyXMPOENKNLYYTEL-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.14
Rot. Bonds1

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

3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (PubChem CID 169498873) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
PubChem CID169498873
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
SMILESC1CCC(c2n[nH]c3c2COCC3)C1
InChIInChI=1S/C11H16N2O/c1-2-4-8(3-1)11-9-7-14-6-5-10(9)12-13-11/h8H,1-7H2,(H,12,13)
InChIKeyXMPOENKNLYYTEL-UHFFFAOYSA-N
XLogP2.14
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The IUPAC name of 3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (CID 169498873) is 3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The canonical SMILES for 3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is C1CCC(c2n[nH]c3c2COCC3)C1.
What is the InChIKey of 3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
The InChIKey is XMPOENKNLYYTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-4-8(3-1)11-9-7-14-6-5-10(9)12-13-11/h8H,1-7H2,(H,12,13).
What are the key properties of 3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole?
3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole has a molecular weight of 192.26 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole is sourced from PubChem (CID 169498873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).