5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole

C11H16N2O — CID 134587422

IUPAC5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole
SMILESc1cc(OCC2C3CCC2CC3)[nH]n1
InChIInChI=1S/C11H16N2O/c1-2-9-4-3-8(1)10(9)7-14-11-5-6-12-13-11/h5-6,8-10H,1-4,7H2,(H,12,13)
InChIKeyXDROTLLFVMUKCC-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.22
Rot. Bonds3

About 5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole

5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole (PubChem CID 134587422) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole.

Molecular Properties

Compound Name5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole
PubChem CID134587422
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole
SMILESc1cc(OCC2C3CCC2CC3)[nH]n1
InChIInChI=1S/C11H16N2O/c1-2-9-4-3-8(1)10(9)7-14-11-5-6-12-13-11/h5-6,8-10H,1-4,7H2,(H,12,13)
InChIKeyXDROTLLFVMUKCC-UHFFFAOYSA-N
XLogP2.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole?
The IUPAC name of 5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole (CID 134587422) is 5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole.
What is the SMILES notation for 5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole?
The canonical SMILES for 5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole is c1cc(OCC2C3CCC2CC3)[nH]n1.
What is the InChIKey of 5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole?
The InChIKey is XDROTLLFVMUKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-9-4-3-8(1)10(9)7-14-11-5-6-12-13-11/h5-6,8-10H,1-4,7H2,(H,12,13).
What are the key properties of 5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole?
5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole has a molecular weight of 192.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bicyclo[2.2.1]heptanylmethoxy)-1H-pyrazole is sourced from PubChem (CID 134587422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).