1-(2-phenylethyl)pyrazole

C11H12N2 — CID 11126737

IUPAC1-(2-phenylethyl)pyrazole
SMILESc1ccc(CCn2cccn2)cc1
InChIInChI=1S/C11H12N2/c1-2-5-11(6-3-1)7-10-13-9-4-8-12-13/h1-6,8-9H,7,10H2
InChIKeyJEXOBLNGJXHXPS-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.13
Rot. Bonds3

About 1-(2-phenylethyl)pyrazole

1-(2-phenylethyl)pyrazole (PubChem CID 11126737) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(2-phenylethyl)pyrazole.

Molecular Properties

Compound Name1-(2-phenylethyl)pyrazole
PubChem CID11126737
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1-(2-phenylethyl)pyrazole
SMILESc1ccc(CCn2cccn2)cc1
InChIInChI=1S/C11H12N2/c1-2-5-11(6-3-1)7-10-13-9-4-8-12-13/h1-6,8-9H,7,10H2
InChIKeyJEXOBLNGJXHXPS-UHFFFAOYSA-N
XLogP2.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)pyrazole?
The IUPAC name of 1-(2-phenylethyl)pyrazole (CID 11126737) is 1-(2-phenylethyl)pyrazole.
What is the SMILES notation for 1-(2-phenylethyl)pyrazole?
The canonical SMILES for 1-(2-phenylethyl)pyrazole is c1ccc(CCn2cccn2)cc1.
What is the InChIKey of 1-(2-phenylethyl)pyrazole?
The InChIKey is JEXOBLNGJXHXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-5-11(6-3-1)7-10-13-9-4-8-12-13/h1-6,8-9H,7,10H2.
What are the key properties of 1-(2-phenylethyl)pyrazole?
1-(2-phenylethyl)pyrazole has a molecular weight of 172.23 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)pyrazole is sourced from PubChem (CID 11126737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).