1-(3,5-dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone

C14H16N2O2 — CID 730205

IUPAC1-(3,5-dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone
SMILESCc1cc(C)n(C(=O)COc2ccccc2C)n1
InChIInChI=1S/C14H16N2O2/c1-10-6-4-5-7-13(10)18-9-14(17)16-12(3)8-11(2)15-16/h4-8H,9H2,1-3H3
InChIKeyGJFWQXNVWWLNEL-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.53
Rot. Bonds3

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

1-(3,5-dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone (PubChem CID 730205) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone
PubChem CID730205
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone
SMILESCc1cc(C)n(C(=O)COc2ccccc2C)n1
InChIInChI=1S/C14H16N2O2/c1-10-6-4-5-7-13(10)18-9-14(17)16-12(3)8-11(2)15-16/h4-8H,9H2,1-3H3
InChIKeyGJFWQXNVWWLNEL-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
CID 658913
1-(2-ethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
CID 898261
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2-(4-methylphenoxy)acetamide
CID 661649
1-[(2,6-dimethylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole
CID 969139
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 3133155
2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide
CID 6457385
2-(2-cyanophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 7998841
2-(2,4-Dimethyl-phenoxy)-1-(3,5-dimethyl-pyrazol-1-yl)-ethanone
CID 1090340
1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 1191530
[2-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 24686288
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-phenoxyacetamide
CID 661935
3,5-dimethyl-4-[(4-methylphenyl)thio]-1-(phenoxyacetyl)-1H-pyrazole
CID 1351690

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone (CID 730205) is 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone is Cc1cc(C)n(C(=O)COc2ccccc2C)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone?
The InChIKey is GJFWQXNVWWLNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-6-4-5-7-13(10)18-9-14(17)16-12(3)8-11(2)15-16/h4-8H,9H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone?
1-(3,5-dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone has a molecular weight of 244.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone is sourced from PubChem (CID 730205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).