ethyl 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetate

C14H17N3O2 — CID 60652892

IUPACethyl 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetate
SMILESCCOC(=O)Cc1c(C)nn(-c2ccccn2)c1C
InChIInChI=1S/C14H17N3O2/c1-4-19-14(18)9-12-10(2)16-17(11(12)3)13-7-5-6-8-15-13/h5-8H,4,9H2,1-3H3
InChIKeyMDABZTSRHSJXPP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.99
Rot. Bonds4

About ethyl 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetate

ethyl 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetate (PubChem CID 60652892) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetate
PubChem CID60652892
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetate
SMILESCCOC(=O)Cc1c(C)nn(-c2ccccn2)c1C
InChIInChI=1S/C14H17N3O2/c1-4-19-14(18)9-12-10(2)16-17(11(12)3)13-7-5-6-8-15-13/h5-8H,4,9H2,1-3H3
InChIKeyMDABZTSRHSJXPP-UHFFFAOYSA-N
XLogP1.99
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetate (CID 60652892) is ethyl 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetate is CCOC(=O)Cc1c(C)nn(-c2ccccn2)c1C.
What is the InChIKey of ethyl 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetate?
The InChIKey is MDABZTSRHSJXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-19-14(18)9-12-10(2)16-17(11(12)3)13-7-5-6-8-15-13/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetate?
ethyl 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetate has a molecular weight of 259.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)acetate is sourced from PubChem (CID 60652892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).