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

C12H17N3O4 — CID 66120512

IUPAC1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCc1cc(C(=O)N2CC(O)CC2C(=O)O)n(C)n1
InChIInChI=1S/C12H17N3O4/c1-3-7-4-9(14(2)13-7)11(17)15-6-8(16)5-10(15)12(18)19/h4,8,10,16H,3,5-6H2,1-2H3,(H,18,19)
InChIKeyAZJKCWPBUPABFX-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.36
Rot. Bonds3

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

1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 66120512) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID66120512
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCc1cc(C(=O)N2CC(O)CC2C(=O)O)n(C)n1
InChIInChI=1S/C12H17N3O4/c1-3-7-4-9(14(2)13-7)11(17)15-6-8(16)5-10(15)12(18)19/h4,8,10,16H,3,5-6H2,1-2H3,(H,18,19)
InChIKeyAZJKCWPBUPABFX-UHFFFAOYSA-N
XLogP-0.36
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 66120512) is 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is CCc1cc(C(=O)N2CC(O)CC2C(=O)O)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is AZJKCWPBUPABFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-7-4-9(14(2)13-7)11(17)15-6-8(16)5-10(15)12(18)19/h4,8,10,16H,3,5-6H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 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-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66120512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).