3-(2-ethyl-5-methylphenyl)-1-(2-methylpropyl)pyrazole

C16H22N2 — CID 134594367

IUPAC3-(2-ethyl-5-methylphenyl)-1-(2-methylpropyl)pyrazole
SMILESCCc1ccc(C)cc1-c1ccn(CC(C)C)n1
InChIInChI=1S/C16H22N2/c1-5-14-7-6-13(4)10-15(14)16-8-9-18(17-16)11-12(2)3/h6-10,12H,5,11H2,1-4H3
InChIKeyIPCFLCVFUZMOEH-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.08
Rot. Bonds4

About 3-(2-ethyl-5-methylphenyl)-1-(2-methylpropyl)pyrazole

3-(2-ethyl-5-methylphenyl)-1-(2-methylpropyl)pyrazole (PubChem CID 134594367) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylphenyl)-1-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name3-(2-ethyl-5-methylphenyl)-1-(2-methylpropyl)pyrazole
PubChem CID134594367
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3-(2-ethyl-5-methylphenyl)-1-(2-methylpropyl)pyrazole
SMILESCCc1ccc(C)cc1-c1ccn(CC(C)C)n1
InChIInChI=1S/C16H22N2/c1-5-14-7-6-13(4)10-15(14)16-8-9-18(17-16)11-12(2)3/h6-10,12H,5,11H2,1-4H3
InChIKeyIPCFLCVFUZMOEH-UHFFFAOYSA-N
XLogP4.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylphenyl)-1-(2-methylpropyl)pyrazole?
The IUPAC name of 3-(2-ethyl-5-methylphenyl)-1-(2-methylpropyl)pyrazole (CID 134594367) is 3-(2-ethyl-5-methylphenyl)-1-(2-methylpropyl)pyrazole.
What is the SMILES notation for 3-(2-ethyl-5-methylphenyl)-1-(2-methylpropyl)pyrazole?
The canonical SMILES for 3-(2-ethyl-5-methylphenyl)-1-(2-methylpropyl)pyrazole is CCc1ccc(C)cc1-c1ccn(CC(C)C)n1.
What is the InChIKey of 3-(2-ethyl-5-methylphenyl)-1-(2-methylpropyl)pyrazole?
The InChIKey is IPCFLCVFUZMOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-5-14-7-6-13(4)10-15(14)16-8-9-18(17-16)11-12(2)3/h6-10,12H,5,11H2,1-4H3.
What are the key properties of 3-(2-ethyl-5-methylphenyl)-1-(2-methylpropyl)pyrazole?
3-(2-ethyl-5-methylphenyl)-1-(2-methylpropyl)pyrazole has a molecular weight of 242.37 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylphenyl)-1-(2-methylpropyl)pyrazole is sourced from PubChem (CID 134594367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).