1-ethyl-3-(4-ethylphenyl)pyrazole

C13H16N2 — CID 70954966

IUPAC1-ethyl-3-(4-ethylphenyl)pyrazole
SMILESCCc1ccc(-c2ccn(CC)n2)cc1
InChIInChI=1S/C13H16N2/c1-3-11-5-7-12(8-6-11)13-9-10-15(4-2)14-13/h5-10H,3-4H2,1-2H3
InChIKeyABGYMTFDAPRTRD-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.13
Rot. Bonds3

About 1-ethyl-3-(4-ethylphenyl)pyrazole

1-ethyl-3-(4-ethylphenyl)pyrazole (PubChem CID 70954966) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-ethyl-3-(4-ethylphenyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-3-(4-ethylphenyl)pyrazole
PubChem CID70954966
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-ethyl-3-(4-ethylphenyl)pyrazole
SMILESCCc1ccc(-c2ccn(CC)n2)cc1
InChIInChI=1S/C13H16N2/c1-3-11-5-7-12(8-6-11)13-9-10-15(4-2)14-13/h5-10H,3-4H2,1-2H3
InChIKeyABGYMTFDAPRTRD-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-ethylphenyl)pyrazole?
The IUPAC name of 1-ethyl-3-(4-ethylphenyl)pyrazole (CID 70954966) is 1-ethyl-3-(4-ethylphenyl)pyrazole.
What is the SMILES notation for 1-ethyl-3-(4-ethylphenyl)pyrazole?
The canonical SMILES for 1-ethyl-3-(4-ethylphenyl)pyrazole is CCc1ccc(-c2ccn(CC)n2)cc1.
What is the InChIKey of 1-ethyl-3-(4-ethylphenyl)pyrazole?
The InChIKey is ABGYMTFDAPRTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-3-11-5-7-12(8-6-11)13-9-10-15(4-2)14-13/h5-10H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-3-(4-ethylphenyl)pyrazole?
1-ethyl-3-(4-ethylphenyl)pyrazole has a molecular weight of 200.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-ethylphenyl)pyrazole is sourced from PubChem (CID 70954966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).