4-ethyl-3,5-dimethyl-1-phenylpyrazole

C13H16N2 — CID 18712045

IUPAC4-ethyl-3,5-dimethyl-1-phenylpyrazole
SMILESCCc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C13H16N2/c1-4-13-10(2)14-15(11(13)3)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
InChIKeyCBZUJIMWROQAII-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.05
Rot. Bonds2

About 4-ethyl-3,5-dimethyl-1-phenylpyrazole

4-ethyl-3,5-dimethyl-1-phenylpyrazole (PubChem CID 18712045) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 4-ethyl-3,5-dimethyl-1-phenylpyrazole.

Molecular Properties

Compound Name4-ethyl-3,5-dimethyl-1-phenylpyrazole
PubChem CID18712045
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name4-ethyl-3,5-dimethyl-1-phenylpyrazole
SMILESCCc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C13H16N2/c1-4-13-10(2)14-15(11(13)3)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
InChIKeyCBZUJIMWROQAII-UHFFFAOYSA-N
XLogP3.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,5-dimethyl-1-phenylpyrazole?
The IUPAC name of 4-ethyl-3,5-dimethyl-1-phenylpyrazole (CID 18712045) is 4-ethyl-3,5-dimethyl-1-phenylpyrazole.
What is the SMILES notation for 4-ethyl-3,5-dimethyl-1-phenylpyrazole?
The canonical SMILES for 4-ethyl-3,5-dimethyl-1-phenylpyrazole is CCc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of 4-ethyl-3,5-dimethyl-1-phenylpyrazole?
The InChIKey is CBZUJIMWROQAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-4-13-10(2)14-15(11(13)3)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3.
What are the key properties of 4-ethyl-3,5-dimethyl-1-phenylpyrazole?
4-ethyl-3,5-dimethyl-1-phenylpyrazole has a molecular weight of 200.29 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5-dimethyl-1-phenylpyrazole is sourced from PubChem (CID 18712045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).