2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one

C15H18N2O2 — CID 107330243

IUPAC2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
SMILESCCOC(C)(C)C(=O)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-4-19-15(2,3)14(18)13-10-11-16-17(13)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3
InChIKeyHONNCXGAJHOLKL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.87
Rot. Bonds5

About 2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one

2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one (PubChem CID 107330243) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
PubChem CID107330243
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
SMILESCCOC(C)(C)C(=O)c1ccnn1-c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-4-19-15(2,3)14(18)13-10-11-16-17(13)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3
InChIKeyHONNCXGAJHOLKL-UHFFFAOYSA-N
XLogP2.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331632
2-(diethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107330168
2-(aminomethyl)-2-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-one
CID 107331719
2-ethoxy-3,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-one
CID 107330242
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688
(3-ethyl-2-pyridinyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330218
(2-phenylpyrazol-3-yl)-pyridin-2-ylmethanone
CID 107330077
3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331628
2-phenylpyrazole-3-carbothioamide
CID 83387115
2-phenyl-N-propylpyrazol-3-amine
CID 54170155
1-ethoxy-2-(2-phenylpyrazol-3-yl)propan-2-ol
CID 107330025
N-(2-phenylpyrazol-3-yl)acetamide
CID 12678799

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one?
The IUPAC name of 2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one (CID 107330243) is 2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one is CCOC(C)(C)C(=O)c1ccnn1-c1ccccc1.
What is the InChIKey of 2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one?
The InChIKey is HONNCXGAJHOLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-19-15(2,3)14(18)13-10-11-16-17(13)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3.
What are the key properties of 2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one?
2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one has a molecular weight of 258.32 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 107330243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).