1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid

C12H17N3O3 — CID 102549426

IUPAC1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCCn1ccc(C(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C12H17N3O3/c1-2-15-7-5-10(13-15)11(16)14-6-3-4-9(8-14)12(17)18/h5,7,9H,2-4,6,8H2,1H3,(H,17,18)
InChIKeyQOJOUKGUPHOIKW-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.84
Rot. Bonds3

About 1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid

1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 102549426) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID102549426
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCCn1ccc(C(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C12H17N3O3/c1-2-15-7-5-10(13-15)11(16)14-6-3-4-9(8-14)12(17)18/h5,7,9H,2-4,6,8H2,1H3,(H,17,18)
InChIKeyQOJOUKGUPHOIKW-UHFFFAOYSA-N
XLogP0.84
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethylpyrazole-3-carbonyl)piperidine-3-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

(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373
(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70744049
1-(1-ethylpyrrole-2-carbonyl)piperidine-3-carboxylic acid
CID 43638872
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 95750159
(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 107971610
(3R)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 124576615
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 119173755
5-[1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 110083029
(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119173853
2-[(3R)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-(oxan-4-ylmethyl)acetamide
CID 124990011
(1-ethylpyrazol-3-yl)-[3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 53185864

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid (CID 102549426) is 1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid is CCn1ccc(C(=O)N2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is QOJOUKGUPHOIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-15-7-5-10(13-15)11(16)14-6-3-4-9(8-14)12(17)18/h5,7,9H,2-4,6,8H2,1H3,(H,17,18).
What are the key properties of 1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid?
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 102549426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).