1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid

C12H17N3O3 — CID 114557617

IUPAC1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
SMILESCCCn1nccc1C1C(C(=O)O)CC(=O)N1C
InChIInChI=1S/C12H17N3O3/c1-3-6-15-9(4-5-13-15)11-8(12(17)18)7-10(16)14(11)2/h4-5,8,11H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyAEMKSOCIESCDJC-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.90
Rot. Bonds4

About 1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid

1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 114557617) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID114557617
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
SMILESCCCn1nccc1C1C(C(=O)O)CC(=O)N1C
InChIInChI=1S/C12H17N3O3/c1-3-6-15-9(4-5-13-15)11-8(12(17)18)7-10(16)14(11)2/h4-5,8,11H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyAEMKSOCIESCDJC-UHFFFAOYSA-N
XLogP0.90
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid
CID 114557630
2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 114557623
1-ethyl-7-oxo-2-(2-propylpyrazol-3-yl)azepane-3-carboxylic acid
CID 114557657
3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid
CID 114557644
4-propyl-2-(2-propylpyrazol-3-yl)cyclohexane-1-carboxylic acid
CID 81021224
(2R,3R)-2-(4-ethylphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 94769672
5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one
CID 114558095
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
(2S,3S)-5-oxo-1-propyl-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 167464072
(2R,3R)-2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 124510159
2-ethyl-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 83682880

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid (CID 114557617) is 1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid is CCCn1nccc1C1C(C(=O)O)CC(=O)N1C.
What is the InChIKey of 1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is AEMKSOCIESCDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-6-15-9(4-5-13-15)11-8(12(17)18)7-10(16)14(11)2/h4-5,8,11H,3,6-7H2,1-2H3,(H,17,18).
What are the key properties of 1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid?
1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-2-(2-propylpyrazol-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 114557617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).