5-ethyl-3-(3-methylphenyl)-1-prop-1-en-2-ylpyrazole

C15H18N2 — CID 172568643

IUPAC5-ethyl-3-(3-methylphenyl)-1-prop-1-en-2-ylpyrazole
SMILESC=C(C)n1nc(-c2cccc(C)c2)cc1CC
InChIInChI=1S/C15H18N2/c1-5-14-10-15(16-17(14)11(2)3)13-8-6-7-12(4)9-13/h6-10H,2,5H2,1,3-4H3
InChIKeyTVTUULGCDPBWNT-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.91
Rot. Bonds3

About 5-ethyl-3-(3-methylphenyl)-1-prop-1-en-2-ylpyrazole

5-ethyl-3-(3-methylphenyl)-1-prop-1-en-2-ylpyrazole (PubChem CID 172568643) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-ethyl-3-(3-methylphenyl)-1-prop-1-en-2-ylpyrazole.

Molecular Properties

Compound Name5-ethyl-3-(3-methylphenyl)-1-prop-1-en-2-ylpyrazole
PubChem CID172568643
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name5-ethyl-3-(3-methylphenyl)-1-prop-1-en-2-ylpyrazole
SMILESC=C(C)n1nc(-c2cccc(C)c2)cc1CC
InChIInChI=1S/C15H18N2/c1-5-14-10-15(16-17(14)11(2)3)13-8-6-7-12(4)9-13/h6-10H,2,5H2,1,3-4H3
InChIKeyTVTUULGCDPBWNT-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-methylphenyl)-1-prop-1-en-2-ylpyrazole?
The IUPAC name of 5-ethyl-3-(3-methylphenyl)-1-prop-1-en-2-ylpyrazole (CID 172568643) is 5-ethyl-3-(3-methylphenyl)-1-prop-1-en-2-ylpyrazole.
What is the SMILES notation for 5-ethyl-3-(3-methylphenyl)-1-prop-1-en-2-ylpyrazole?
The canonical SMILES for 5-ethyl-3-(3-methylphenyl)-1-prop-1-en-2-ylpyrazole is C=C(C)n1nc(-c2cccc(C)c2)cc1CC.
What is the InChIKey of 5-ethyl-3-(3-methylphenyl)-1-prop-1-en-2-ylpyrazole?
The InChIKey is TVTUULGCDPBWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-5-14-10-15(16-17(14)11(2)3)13-8-6-7-12(4)9-13/h6-10H,2,5H2,1,3-4H3.
What are the key properties of 5-ethyl-3-(3-methylphenyl)-1-prop-1-en-2-ylpyrazole?
5-ethyl-3-(3-methylphenyl)-1-prop-1-en-2-ylpyrazole has a molecular weight of 226.32 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-methylphenyl)-1-prop-1-en-2-ylpyrazole is sourced from PubChem (CID 172568643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).