5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole

C12H16N2O — CID 134587396

IUPAC5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole
SMILESc1cc(OCCC2C3(CC3)C23CC3)[nH]n1
InChIInChI=1S/C12H16N2O/c1-7-13-14-10(1)15-8-2-9-11(3-4-11)12(9)5-6-12/h1,7,9H,2-6,8H2,(H,13,14)
InChIKeyLRZZMAWCXDQAMV-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.37
Rot. Bonds4

About 5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole

5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole (PubChem CID 134587396) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole
PubChem CID134587396
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole
SMILESc1cc(OCCC2C3(CC3)C23CC3)[nH]n1
InChIInChI=1S/C12H16N2O/c1-7-13-14-10(1)15-8-2-9-11(3-4-11)12(9)5-6-12/h1,7,9H,2-6,8H2,(H,13,14)
InChIKeyLRZZMAWCXDQAMV-UHFFFAOYSA-N
XLogP2.37
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole?
The IUPAC name of 5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole (CID 134587396) is 5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole.
What is the SMILES notation for 5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole?
The canonical SMILES for 5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole is c1cc(OCCC2C3(CC3)C23CC3)[nH]n1.
What is the InChIKey of 5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole?
The InChIKey is LRZZMAWCXDQAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7-13-14-10(1)15-8-2-9-11(3-4-11)12(9)5-6-12/h1,7,9H,2-6,8H2,(H,13,14).
What are the key properties of 5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole?
5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole has a molecular weight of 204.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole is sourced from PubChem (CID 134587396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).