1-[3-(4-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone

C12H14N2O2 — CID 2866241

IUPAC1-[3-(4-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(C)CC1c1ccc(O)cc1
InChIInChI=1S/C12H14N2O2/c1-8-7-12(14(13-8)9(2)15)10-3-5-11(16)6-4-10/h3-6,12,16H,7H2,1-2H3
InChIKeyXEXDQDGLXRNLDA-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.06
Rot. Bonds1

About 1-[3-(4-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone

1-[3-(4-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 2866241) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[3-(4-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID2866241
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[3-(4-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1N=C(C)CC1c1ccc(O)cc1
InChIInChI=1S/C12H14N2O2/c1-8-7-12(14(13-8)9(2)15)10-3-5-11(16)6-4-10/h3-6,12,16H,7H2,1-2H3
InChIKeyXEXDQDGLXRNLDA-UHFFFAOYSA-N
XLogP2.06
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[3-(4-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone (CID 2866241) is 1-[3-(4-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[3-(4-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[3-(4-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1N=C(C)CC1c1ccc(O)cc1.
What is the InChIKey of 1-[3-(4-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is XEXDQDGLXRNLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-7-12(14(13-8)9(2)15)10-3-5-11(16)6-4-10/h3-6,12,16H,7H2,1-2H3.
What are the key properties of 1-[3-(4-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone?
1-[3-(4-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 218.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 2866241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).