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

C14H21N3O3 — CID 107069278

IUPAC1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid
SMILESCCc1cc(C(=O)N2CCCC(C)C2C(=O)O)n(C)n1
InChIInChI=1S/C14H21N3O3/c1-4-10-8-11(16(3)15-10)13(18)17-7-5-6-9(2)12(17)14(19)20/h8-9,12H,4-7H2,1-3H3,(H,19,20)
InChIKeyOZCWYBVDBHUYIJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.31
Rot. Bonds3

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

1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107069278) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107069278
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid
SMILESCCc1cc(C(=O)N2CCCC(C)C2C(=O)O)n(C)n1
InChIInChI=1S/C14H21N3O3/c1-4-10-8-11(16(3)15-10)13(18)17-7-5-6-9(2)12(17)14(19)20/h8-9,12H,4-7H2,1-3H3,(H,19,20)
InChIKeyOZCWYBVDBHUYIJ-UHFFFAOYSA-N
XLogP1.31
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79029176
ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 66120366
(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 81119737
[2-(2-bromopropyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 112748457
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperazine-2-carboxylic acid
CID 66120562
methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate
CID 66122706
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 66120512
3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid
CID 107069832
1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid
CID 66122346
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 114960250

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid (CID 107069278) is 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid is CCc1cc(C(=O)N2CCCC(C)C2C(=O)O)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is OZCWYBVDBHUYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-10-8-11(16(3)15-10)13(18)17-7-5-6-9(2)12(17)14(19)20/h8-9,12H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid?
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107069278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).