methyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carboxylate

C13H19N3O3 — CID 43410299

IUPACmethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C13H19N3O3/c1-8-10(9(2)15-14-8)7-12(17)16-6-4-5-11(16)13(18)19-3/h11H,4-7H2,1-3H3,(H,14,15)
InChIKeyJHBVWSFATQNKDR-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.73
Rot. Bonds3

About methyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carboxylate

methyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carboxylate (PubChem CID 43410299) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carboxylate
PubChem CID43410299
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C13H19N3O3/c1-8-10(9(2)15-14-8)7-12(17)16-6-4-5-11(16)13(18)19-3/h11H,4-7H2,1-3H3,(H,14,15)
InChIKeyJHBVWSFATQNKDR-UHFFFAOYSA-N
XLogP0.73
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carboxylate (CID 43410299) is methyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)Cc1c(C)n[nH]c1C.
What is the InChIKey of methyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carboxylate?
The InChIKey is JHBVWSFATQNKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-10(9(2)15-14-8)7-12(17)16-6-4-5-11(16)13(18)19-3/h11H,4-7H2,1-3H3,(H,14,15).
What are the key properties of methyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 43410299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).