5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole

C11H14N2O — CID 134393676

IUPAC5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole
SMILESc1cc(OCC2C3(CC3)C23CC3)[nH]n1
InChIInChI=1S/C11H14N2O/c1-6-12-13-9(1)14-7-8-10(2-3-10)11(8)4-5-11/h1,6,8H,2-5,7H2,(H,12,13)
InChIKeyVVXQOBAFUTZLQE-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.98
Rot. Bonds3

About 5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole

5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole (PubChem CID 134393676) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole.

Molecular Properties

Compound Name5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole
PubChem CID134393676
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole
SMILESc1cc(OCC2C3(CC3)C23CC3)[nH]n1
InChIInChI=1S/C11H14N2O/c1-6-12-13-9(1)14-7-8-10(2-3-10)11(8)4-5-11/h1,6,8H,2-5,7H2,(H,12,13)
InChIKeyVVXQOBAFUTZLQE-UHFFFAOYSA-N
XLogP1.98
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole?
The IUPAC name of 5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole (CID 134393676) is 5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole.
What is the SMILES notation for 5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole?
The canonical SMILES for 5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole is c1cc(OCC2C3(CC3)C23CC3)[nH]n1.
What is the InChIKey of 5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole?
The InChIKey is VVXQOBAFUTZLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-6-12-13-9(1)14-7-8-10(2-3-10)11(8)4-5-11/h1,6,8H,2-5,7H2,(H,12,13).
What are the key properties of 5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole?
5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole has a molecular weight of 190.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole is sourced from PubChem (CID 134393676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).