1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole

C16H18N2 — CID 122203491

IUPAC1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole
SMILESc1ccc(-n2cccn2)c(C2CC3CCC2C3)c1
InChIInChI=1S/C16H18N2/c1-2-5-16(18-9-3-8-17-18)14(4-1)15-11-12-6-7-13(15)10-12/h1-5,8-9,12-13,15H,6-7,10-11H2
InChIKeyOYSUOJYLDJARHM-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.78
Rot. Bonds2

About 1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole

1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole (PubChem CID 122203491) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole
PubChem CID122203491
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole
SMILESc1ccc(-n2cccn2)c(C2CC3CCC2C3)c1
InChIInChI=1S/C16H18N2/c1-2-5-16(18-9-3-8-17-18)14(4-1)15-11-12-6-7-13(15)10-12/h1-5,8-9,12-13,15H,6-7,10-11H2
InChIKeyOYSUOJYLDJARHM-UHFFFAOYSA-N
XLogP3.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole (CID 122203491) is 1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole is c1ccc(-n2cccn2)c(C2CC3CCC2C3)c1.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole?
The InChIKey is OYSUOJYLDJARHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-5-16(18-9-3-8-17-18)14(4-1)15-11-12-6-7-13(15)10-12/h1-5,8-9,12-13,15H,6-7,10-11H2.
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole?
1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole has a molecular weight of 238.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bicyclo[2.2.1]heptanyl)phenyl]pyrazole is sourced from PubChem (CID 122203491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).