2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone

C14H16N2O2 — CID 3829776

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C14H16N2O2/c1-10-8-11(2)16(15-10)9-14(17)12-4-6-13(18-3)7-5-12/h4-8H,9H2,1-3H3
InChIKeyKVZDGLYVGSVRGC-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.39
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone (PubChem CID 3829776) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone
PubChem CID3829776
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C14H16N2O2/c1-10-8-11(2)16(15-10)9-14(17)12-4-6-13(18-3)7-5-12/h4-8H,9H2,1-3H3
InChIKeyKVZDGLYVGSVRGC-UHFFFAOYSA-N
XLogP2.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone (CID 3829776) is 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cn2nc(C)cc2C)cc1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is KVZDGLYVGSVRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-8-11(2)16(15-10)9-14(17)12-4-6-13(18-3)7-5-12/h4-8H,9H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 244.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 3829776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).