(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid

C12H17N3O3 — CID 119173853

IUPAC(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCCc1cc(C(=O)N2CCC[C@H](C(=O)O)C2)n[nH]1
InChIInChI=1S/C12H17N3O3/c1-2-9-6-10(14-13-9)11(16)15-5-3-4-8(7-15)12(17)18/h6,8H,2-5,7H2,1H3,(H,13,14)(H,17,18)/t8-/m0/s1
InChIKeyOYEOAIGTQFSUFU-QMMMGPOBSA-N
MW251.29 g/mol
LogP0.91
Rot. Bonds3

About (3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 119173853) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID119173853
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid
SMILESCCc1cc(C(=O)N2CCC[C@H](C(=O)O)C2)n[nH]1
InChIInChI=1S/C12H17N3O3/c1-2-9-6-10(14-13-9)11(16)15-5-3-4-8(7-15)12(17)18/h6,8H,2-5,7H2,1H3,(H,13,14)(H,17,18)/t8-/m0/s1
InChIKeyOYEOAIGTQFSUFU-QMMMGPOBSA-N
XLogP0.91
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 119381090
(5-ethyl-1H-pyrazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492861
(5-ethyl-1H-pyrazol-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 136579737
(5-propyl-1H-pyrazol-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818111
1-[4-(5-ethyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 78861980
[4-(dimethylamino)piperidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 78873940
(5-ethyl-1H-pyrazol-3-yl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 129479436
2-[4-(5-ethyl-1H-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78870643
ethyl 1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate
CID 45213629
ethyl (3R)-1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazole-3-carbonyl]piperidine-3-carboxylate
CID 42529647
(4-fluorophenyl)-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]methanone
CID 95773916
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid (CID 119173853) is (3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid is CCc1cc(C(=O)N2CCC[C@H](C(=O)O)C2)n[nH]1.
What is the InChIKey of (3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is OYEOAIGTQFSUFU-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-9-6-10(14-13-9)11(16)15-5-3-4-8(7-15)12(17)18/h6,8H,2-5,7H2,1H3,(H,13,14)(H,17,18)/t8-/m0/s1.
What are the key properties of (3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 119173853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).