3-methyl-1-(2-phenylethyl)pyrazole

C12H14N2 — CID 15355052

IUPAC3-methyl-1-(2-phenylethyl)pyrazole
SMILESCc1ccn(CCc2ccccc2)n1
InChIInChI=1S/C12H14N2/c1-11-7-9-14(13-11)10-8-12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3
InChIKeyQGPYNAGMLOWLQT-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.43
Rot. Bonds3

About 3-methyl-1-(2-phenylethyl)pyrazole

3-methyl-1-(2-phenylethyl)pyrazole (PubChem CID 15355052) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-methyl-1-(2-phenylethyl)pyrazole.

Molecular Properties

Compound Name3-methyl-1-(2-phenylethyl)pyrazole
PubChem CID15355052
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name3-methyl-1-(2-phenylethyl)pyrazole
SMILESCc1ccn(CCc2ccccc2)n1
InChIInChI=1S/C12H14N2/c1-11-7-9-14(13-11)10-8-12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3
InChIKeyQGPYNAGMLOWLQT-UHFFFAOYSA-N
XLogP2.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-phenylethyl)pyrazole?
The IUPAC name of 3-methyl-1-(2-phenylethyl)pyrazole (CID 15355052) is 3-methyl-1-(2-phenylethyl)pyrazole.
What is the SMILES notation for 3-methyl-1-(2-phenylethyl)pyrazole?
The canonical SMILES for 3-methyl-1-(2-phenylethyl)pyrazole is Cc1ccn(CCc2ccccc2)n1.
What is the InChIKey of 3-methyl-1-(2-phenylethyl)pyrazole?
The InChIKey is QGPYNAGMLOWLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-11-7-9-14(13-11)10-8-12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3.
What are the key properties of 3-methyl-1-(2-phenylethyl)pyrazole?
3-methyl-1-(2-phenylethyl)pyrazole has a molecular weight of 186.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-phenylethyl)pyrazole is sourced from PubChem (CID 15355052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).