(3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone

C14H16N2O2 — CID 898261

IUPAC(3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)n1nc(C)cc1C
InChIInChI=1S/C14H16N2O2/c1-4-18-13-8-6-5-7-12(13)14(17)16-11(3)9-10(2)15-16/h5-9H,4H2,1-3H3
InChIKeyUTPTXVSZDXQCJW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.59
Rot. Bonds3

About (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone

(3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone (PubChem CID 898261) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
PubChem CID898261
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)n1nc(C)cc1C
InChIInChI=1S/C14H16N2O2/c1-4-18-13-8-6-5-7-12(13)14(17)16-11(3)9-10(2)15-16/h5-9H,4H2,1-3H3
InChIKeyUTPTXVSZDXQCJW-UHFFFAOYSA-N
XLogP2.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone (CID 898261) is (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)n1nc(C)cc1C.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone?
The InChIKey is UTPTXVSZDXQCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-4-18-13-8-6-5-7-12(13)14(17)16-11(3)9-10(2)15-16/h5-9H,4H2,1-3H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone?
(3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone has a molecular weight of 244.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 898261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).