ethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate

C15H17N3O3 — CID 106676949

IUPACethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)n1ccc(C(=O)NC)n1
InChIInChI=1S/C15H17N3O3/c1-3-21-15(20)13(11-7-5-4-6-8-11)18-10-9-12(17-18)14(19)16-2/h4-10,13H,3H2,1-2H3,(H,16,19)
InChIKeyBMZGCZPZLJFKMU-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.40
Rot. Bonds5

About ethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate

ethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate (PubChem CID 106676949) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate
PubChem CID106676949
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)n1ccc(C(=O)NC)n1
InChIInChI=1S/C15H17N3O3/c1-3-21-15(20)13(11-7-5-4-6-8-11)18-10-9-12(17-18)14(19)16-2/h4-10,13H,3H2,1-2H3,(H,16,19)
InChIKeyBMZGCZPZLJFKMU-UHFFFAOYSA-N
XLogP1.40
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate?
The IUPAC name of ethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate (CID 106676949) is ethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate?
The canonical SMILES for ethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate is CCOC(=O)C(c1ccccc1)n1ccc(C(=O)NC)n1.
What is the InChIKey of ethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate?
The InChIKey is BMZGCZPZLJFKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-21-15(20)13(11-7-5-4-6-8-11)18-10-9-12(17-18)14(19)16-2/h4-10,13H,3H2,1-2H3,(H,16,19).
What are the key properties of ethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate?
ethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate has a molecular weight of 287.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(methylcarbamoyl)pyrazol-1-yl]-2-phenylacetate is sourced from PubChem (CID 106676949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).