methyl 2-(3-methyl-5-oxo-1-propyl-4H-pyrazol-4-yl)acetate

C10H16N2O3 — CID 13092296

IUPACmethyl 2-(3-methyl-5-oxo-1-propyl-4H-pyrazol-4-yl)acetate
SMILESCCCN1N=C(C)C(CC(=O)OC)C1=O
InChIInChI=1S/C10H16N2O3/c1-4-5-12-10(14)8(7(2)11-12)6-9(13)15-3/h8H,4-6H2,1-3H3
InChIKeyVOQQUZPQPFYYPK-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.79
Rot. Bonds4

About methyl 2-(3-methyl-5-oxo-1-propyl-4H-pyrazol-4-yl)acetate

methyl 2-(3-methyl-5-oxo-1-propyl-4H-pyrazol-4-yl)acetate (PubChem CID 13092296) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 2-(3-methyl-5-oxo-1-propyl-4H-pyrazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-5-oxo-1-propyl-4H-pyrazol-4-yl)acetate
PubChem CID13092296
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 2-(3-methyl-5-oxo-1-propyl-4H-pyrazol-4-yl)acetate
SMILESCCCN1N=C(C)C(CC(=O)OC)C1=O
InChIInChI=1S/C10H16N2O3/c1-4-5-12-10(14)8(7(2)11-12)6-9(13)15-3/h8H,4-6H2,1-3H3
InChIKeyVOQQUZPQPFYYPK-UHFFFAOYSA-N
XLogP0.79
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-5-oxo-1-propyl-4H-pyrazol-4-yl)acetate?
The IUPAC name of methyl 2-(3-methyl-5-oxo-1-propyl-4H-pyrazol-4-yl)acetate (CID 13092296) is methyl 2-(3-methyl-5-oxo-1-propyl-4H-pyrazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(3-methyl-5-oxo-1-propyl-4H-pyrazol-4-yl)acetate?
The canonical SMILES for methyl 2-(3-methyl-5-oxo-1-propyl-4H-pyrazol-4-yl)acetate is CCCN1N=C(C)C(CC(=O)OC)C1=O.
What is the InChIKey of methyl 2-(3-methyl-5-oxo-1-propyl-4H-pyrazol-4-yl)acetate?
The InChIKey is VOQQUZPQPFYYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-5-12-10(14)8(7(2)11-12)6-9(13)15-3/h8H,4-6H2,1-3H3.
What are the key properties of methyl 2-(3-methyl-5-oxo-1-propyl-4H-pyrazol-4-yl)acetate?
methyl 2-(3-methyl-5-oxo-1-propyl-4H-pyrazol-4-yl)acetate has a molecular weight of 212.25 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-5-oxo-1-propyl-4H-pyrazol-4-yl)acetate is sourced from PubChem (CID 13092296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).