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

C12H13N3O2 — CID 131730044

IUPACmethyl 2-(5-methyl-3-pyridin-2-yl-1H-pyrazol-4-yl)acetate
SMILESCOC(=O)Cc1c(-c2ccccn2)n[nH]c1C
InChIInChI=1S/C12H13N3O2/c1-8-9(7-11(16)17-2)12(15-14-8)10-5-3-4-6-13-10/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyPDKZVERFPFGXNW-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.50
Rot. Bonds3

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

methyl 2-(5-methyl-3-pyridin-2-yl-1H-pyrazol-4-yl)acetate (PubChem CID 131730044) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 2-(5-methyl-3-pyridin-2-yl-1H-pyrazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methyl-3-pyridin-2-yl-1H-pyrazol-4-yl)acetate
PubChem CID131730044
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Namemethyl 2-(5-methyl-3-pyridin-2-yl-1H-pyrazol-4-yl)acetate
SMILESCOC(=O)Cc1c(-c2ccccn2)n[nH]c1C
InChIInChI=1S/C12H13N3O2/c1-8-9(7-11(16)17-2)12(15-14-8)10-5-3-4-6-13-10/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyPDKZVERFPFGXNW-UHFFFAOYSA-N
XLogP1.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyl-3-pyridin-2-yl-1H-pyrazol-4-yl)acetate?
The IUPAC name of methyl 2-(5-methyl-3-pyridin-2-yl-1H-pyrazol-4-yl)acetate (CID 131730044) is methyl 2-(5-methyl-3-pyridin-2-yl-1H-pyrazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(5-methyl-3-pyridin-2-yl-1H-pyrazol-4-yl)acetate?
The canonical SMILES for methyl 2-(5-methyl-3-pyridin-2-yl-1H-pyrazol-4-yl)acetate is COC(=O)Cc1c(-c2ccccn2)n[nH]c1C.
What is the InChIKey of methyl 2-(5-methyl-3-pyridin-2-yl-1H-pyrazol-4-yl)acetate?
The InChIKey is PDKZVERFPFGXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-9(7-11(16)17-2)12(15-14-8)10-5-3-4-6-13-10/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-(5-methyl-3-pyridin-2-yl-1H-pyrazol-4-yl)acetate?
methyl 2-(5-methyl-3-pyridin-2-yl-1H-pyrazol-4-yl)acetate has a molecular weight of 231.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyl-3-pyridin-2-yl-1H-pyrazol-4-yl)acetate is sourced from PubChem (CID 131730044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).