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

C12H18N4O3 — CID 66120562

IUPAC1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid
SMILESCCc1cc(C(=O)N2CCNCC2C(=O)O)n(C)n1
InChIInChI=1S/C12H18N4O3/c1-3-8-6-9(15(2)14-8)11(17)16-5-4-13-7-10(16)12(18)19/h6,10,13H,3-5,7H2,1-2H3,(H,18,19)
InChIKeyPODUQIUDJKAHEA-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.52
Rot. Bonds3

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

1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid (PubChem CID 66120562) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid
PubChem CID66120562
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid
SMILESCCc1cc(C(=O)N2CCNCC2C(=O)O)n(C)n1
InChIInChI=1S/C12H18N4O3/c1-3-8-6-9(15(2)14-8)11(17)16-5-4-13-7-10(16)12(18)19/h6,10,13H,3-5,7H2,1-2H3,(H,18,19)
InChIKeyPODUQIUDJKAHEA-UHFFFAOYSA-N
XLogP-0.52
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
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-ethyl-1-methylpyrazole-5-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 66122078
[(2S)-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperazin-2-yl]-morpholin-4-ylmethanone
CID 95720314
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107069278
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 66211216
ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 66120366
(3-ethyl-1-methylpyrazol-5-yl)-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66211109
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
(3-ethyl-1-methylpyrazol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79029176
1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid
CID 66122346
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 79409981

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid?
The IUPAC name of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid (CID 66120562) is 1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid is CCc1cc(C(=O)N2CCNCC2C(=O)O)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid?
The InChIKey is PODUQIUDJKAHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-8-6-9(15(2)14-8)11(17)16-5-4-13-7-10(16)12(18)19/h6,10,13H,3-5,7H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid?
1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of -0.52, 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)piperazine-2-carboxylic acid is sourced from PubChem (CID 66120562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).