3,5-dimethyl-1-(2-phenylethyl)pyrazole

C13H16N2 — CID 573288

IUPAC3,5-dimethyl-1-(2-phenylethyl)pyrazole
SMILESCc1cc(C)n(CCc2ccccc2)n1
InChIInChI=1S/C13H16N2/c1-11-10-12(2)15(14-11)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChIKeyZYKFIMCOEFWOPW-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.74
Rot. Bonds3

About 3,5-dimethyl-1-(2-phenylethyl)pyrazole

3,5-dimethyl-1-(2-phenylethyl)pyrazole (PubChem CID 573288) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-phenylethyl)pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-phenylethyl)pyrazole
PubChem CID573288
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3,5-dimethyl-1-(2-phenylethyl)pyrazole
SMILESCc1cc(C)n(CCc2ccccc2)n1
InChIInChI=1S/C13H16N2/c1-11-10-12(2)15(14-11)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3
InChIKeyZYKFIMCOEFWOPW-UHFFFAOYSA-N
XLogP2.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-phenylethyl)pyrazole?
The IUPAC name of 3,5-dimethyl-1-(2-phenylethyl)pyrazole (CID 573288) is 3,5-dimethyl-1-(2-phenylethyl)pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(2-phenylethyl)pyrazole?
The canonical SMILES for 3,5-dimethyl-1-(2-phenylethyl)pyrazole is Cc1cc(C)n(CCc2ccccc2)n1.
What is the InChIKey of 3,5-dimethyl-1-(2-phenylethyl)pyrazole?
The InChIKey is ZYKFIMCOEFWOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-11-10-12(2)15(14-11)9-8-13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(2-phenylethyl)pyrazole?
3,5-dimethyl-1-(2-phenylethyl)pyrazole has a molecular weight of 200.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-phenylethyl)pyrazole is sourced from PubChem (CID 573288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).