3-(7-bicyclo[2.2.1]heptanylmethoxy)-1-methylpyrazole

C12H18N2O — CID 155187822

IUPAC3-(7-bicyclo[2.2.1]heptanylmethoxy)-1-methylpyrazole
SMILESCn1ccc(OCC2C3CCC2CC3)n1
InChIInChI=1S/C12H18N2O/c1-14-7-6-12(13-14)15-8-11-9-2-3-10(11)5-4-9/h6-7,9-11H,2-5,8H2,1H3
InChIKeyPCWWTXAZJBBWHD-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.24
Rot. Bonds3

About 3-(7-bicyclo[2.2.1]heptanylmethoxy)-1-methylpyrazole

3-(7-bicyclo[2.2.1]heptanylmethoxy)-1-methylpyrazole (PubChem CID 155187822) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(7-bicyclo[2.2.1]heptanylmethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name3-(7-bicyclo[2.2.1]heptanylmethoxy)-1-methylpyrazole
PubChem CID155187822
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(7-bicyclo[2.2.1]heptanylmethoxy)-1-methylpyrazole
SMILESCn1ccc(OCC2C3CCC2CC3)n1
InChIInChI=1S/C12H18N2O/c1-14-7-6-12(13-14)15-8-11-9-2-3-10(11)5-4-9/h6-7,9-11H,2-5,8H2,1H3
InChIKeyPCWWTXAZJBBWHD-UHFFFAOYSA-N
XLogP2.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-bicyclo[2.2.1]heptanylmethoxy)-1-methylpyrazole?
The IUPAC name of 3-(7-bicyclo[2.2.1]heptanylmethoxy)-1-methylpyrazole (CID 155187822) is 3-(7-bicyclo[2.2.1]heptanylmethoxy)-1-methylpyrazole.
What is the SMILES notation for 3-(7-bicyclo[2.2.1]heptanylmethoxy)-1-methylpyrazole?
The canonical SMILES for 3-(7-bicyclo[2.2.1]heptanylmethoxy)-1-methylpyrazole is Cn1ccc(OCC2C3CCC2CC3)n1.
What is the InChIKey of 3-(7-bicyclo[2.2.1]heptanylmethoxy)-1-methylpyrazole?
The InChIKey is PCWWTXAZJBBWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-14-7-6-12(13-14)15-8-11-9-2-3-10(11)5-4-9/h6-7,9-11H,2-5,8H2,1H3.
What are the key properties of 3-(7-bicyclo[2.2.1]heptanylmethoxy)-1-methylpyrazole?
3-(7-bicyclo[2.2.1]heptanylmethoxy)-1-methylpyrazole has a molecular weight of 206.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bicyclo[2.2.1]heptanylmethoxy)-1-methylpyrazole is sourced from PubChem (CID 155187822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).