(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone

C16H20N2O2 — CID 102811706

IUPAC(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone
SMILESCCc1nn(C)cc1C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H20N2O2/c1-5-15-14(10-18(4)17-15)16(19)12-6-8-13(9-7-12)20-11(2)3/h6-11H,5H2,1-4H3
InChIKeyWGPYTFSOMVISON-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.00
Rot. Bonds5

About (3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone

(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone (PubChem CID 102811706) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone
PubChem CID102811706
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone
SMILESCCc1nn(C)cc1C(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H20N2O2/c1-5-15-14(10-18(4)17-15)16(19)12-6-8-13(9-7-12)20-11(2)3/h6-11H,5H2,1-4H3
InChIKeyWGPYTFSOMVISON-UHFFFAOYSA-N
XLogP3.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone
CID 102811693
1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid
CID 43324425
(1,3-diethylpyrazol-5-yl)-(4-propan-2-yloxyphenyl)methanone
CID 105097408
(3-methylimidazol-4-yl)-(4-propan-2-yloxyphenyl)methanone
CID 82896310
(2-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43161508
2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811856
bis[4-[(2R)-butan-2-yl]oxyphenyl]methanone
CID 131860857
(4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79757463
(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 82772715
1-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-4-yl)propane-1,3-dione
CID 102810662
1-benzothiophen-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811827
2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 112512252

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone (CID 102811706) is (3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone is CCc1nn(C)cc1C(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is WGPYTFSOMVISON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-15-14(10-18(4)17-15)16(19)12-6-8-13(9-7-12)20-11(2)3/h6-11H,5H2,1-4H3.
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone?
(3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 272.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 102811706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).