1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid

C12H18N4O3 — CID 103009203

IUPAC1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCn1nccc1CCNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-15-9(5-7-14-15)4-6-13-12(19)16-8-2-3-10(16)11(17)18/h5,7,10H,2-4,6,8H2,1H3,(H,13,19)(H,17,18)
InChIKeyHIGPUUAFBDXYLM-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.22
Rot. Bonds4

About 1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid

1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 103009203) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID103009203
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCn1nccc1CCNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-15-9(5-7-14-15)4-6-13-12(19)16-8-2-3-10(16)11(17)18/h5,7,10H,2-4,6,8H2,1H3,(H,13,19)(H,17,18)
InChIKeyHIGPUUAFBDXYLM-UHFFFAOYSA-N
XLogP0.22
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744621
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185230
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 104693313
(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78930077
(2S)-1-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78927419
(2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79756204
(2S)-1-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114184444
6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104693312
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 113363783
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 103009645
(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954110

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 103009203) is 1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid is Cn1nccc1CCNC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HIGPUUAFBDXYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-15-9(5-7-14-15)4-6-13-12(19)16-8-2-3-10(16)11(17)18/h5,7,10H,2-4,6,8H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103009203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).