(2,6-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone

C14H16N2O3 — CID 897075

IUPAC(2,6-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)n1nc(C)cc1C
InChIInChI=1S/C14H16N2O3/c1-9-8-10(2)16(15-9)14(17)13-11(18-3)6-5-7-12(13)19-4/h5-8H,1-4H3
InChIKeyDBYFOJXYZFYEFA-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.21
Rot. Bonds3

About (2,6-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone

(2,6-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 897075) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID897075
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(2,6-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCOc1cccc(OC)c1C(=O)n1nc(C)cc1C
InChIInChI=1S/C14H16N2O3/c1-9-8-10(2)16(15-9)14(17)13-11(18-3)6-5-7-12(13)19-4/h5-8H,1-4H3
InChIKeyDBYFOJXYZFYEFA-UHFFFAOYSA-N
XLogP2.21
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone (CID 897075) is (2,6-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone is COc1cccc(OC)c1C(=O)n1nc(C)cc1C.
What is the InChIKey of (2,6-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is DBYFOJXYZFYEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-8-10(2)16(15-9)14(17)13-11(18-3)6-5-7-12(13)19-4/h5-8H,1-4H3.
What are the key properties of (2,6-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone?
(2,6-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 260.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 897075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).