1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone

C10H16N2O3 — CID 105132749

IUPAC1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone
SMILESCOc1cnn(C)c1C(=O)COC(C)C
InChIInChI=1S/C10H16N2O3/c1-7(2)15-6-8(13)10-9(14-4)5-11-12(10)3/h5,7H,6H2,1-4H3
InChIKeyLKPBWXNLVCMAOE-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.04
Rot. Bonds5

About 1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone

1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone (PubChem CID 105132749) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone
PubChem CID105132749
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone
SMILESCOc1cnn(C)c1C(=O)COC(C)C
InChIInChI=1S/C10H16N2O3/c1-7(2)15-6-8(13)10-9(14-4)5-11-12(10)3/h5,7H,6H2,1-4H3
InChIKeyLKPBWXNLVCMAOE-UHFFFAOYSA-N
XLogP1.04
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105132702
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 105132777
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214413
2-(butan-2-ylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanone
CID 114668516
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 115809538
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
5-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pentan-1-one
CID 114669303
1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone
CID 114669257
3-(diethylamino)-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-one
CID 114641301
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one
CID 114668168
1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanone
CID 114639767

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone (CID 105132749) is 1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone is COc1cnn(C)c1C(=O)COC(C)C.
What is the InChIKey of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone?
The InChIKey is LKPBWXNLVCMAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(2)15-6-8(13)10-9(14-4)5-11-12(10)3/h5,7H,6H2,1-4H3.
What are the key properties of 1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone?
1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone has a molecular weight of 212.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 105132749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).