1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid

C13H19N3O4 — CID 66122078

IUPAC1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCc1cc(C(=O)N2CC(OC)CC2C(=O)O)n(C)n1
InChIInChI=1S/C13H19N3O4/c1-4-8-5-10(15(2)14-8)12(17)16-7-9(20-3)6-11(16)13(18)19/h5,9,11H,4,6-7H2,1-3H3,(H,18,19)
InChIKeyRJGRYCQVXFLXMJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.30
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid

1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 66122078) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID66122078
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCCc1cc(C(=O)N2CC(OC)CC2C(=O)O)n(C)n1
InChIInChI=1S/C13H19N3O4/c1-4-8-5-10(15(2)14-8)12(17)16-7-9(20-3)6-11(16)13(18)19/h5,9,11H,4,6-7H2,1-3H3,(H,18,19)
InChIKeyRJGRYCQVXFLXMJ-UHFFFAOYSA-N
XLogP0.30
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 66120512
1-(3,5-dibromobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 107971197
1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid
CID 66120562
1-(4,5-diethylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120689333
1-(5-ethyl-4-methylfuran-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534474
1-(3,5-dichlorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43099378
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107069278
methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate
CID 66122706
1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24690196
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 24700309
(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 81119737

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 66122078) is 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is CCc1cc(C(=O)N2CC(OC)CC2C(=O)O)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is RJGRYCQVXFLXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-4-8-5-10(15(2)14-8)12(17)16-7-9(20-3)6-11(16)13(18)19/h5,9,11H,4,6-7H2,1-3H3,(H,18,19).
What are the key properties of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66122078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).