3,3-dimethyl-1-(1H-pyrazole-5-carbonyl)piperidine-2-carboxylic acid

C12H17N3O3 — CID 114085024

IUPAC3,3-dimethyl-1-(1H-pyrazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESCC1(C)CCCN(C(=O)c2ccn[nH]2)C1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-12(2)5-3-7-15(9(12)11(17)18)10(16)8-4-6-13-14-8/h4,6,9H,3,5,7H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyUDAPJSXSUBOMFA-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.13
Rot. Bonds2

About 3,3-dimethyl-1-(1H-pyrazole-5-carbonyl)piperidine-2-carboxylic acid

3,3-dimethyl-1-(1H-pyrazole-5-carbonyl)piperidine-2-carboxylic acid (PubChem CID 114085024) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1H-pyrazole-5-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-1-(1H-pyrazole-5-carbonyl)piperidine-2-carboxylic acid
PubChem CID114085024
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3,3-dimethyl-1-(1H-pyrazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESCC1(C)CCCN(C(=O)c2ccn[nH]2)C1C(=O)O
InChIInChI=1S/C12H17N3O3/c1-12(2)5-3-7-15(9(12)11(17)18)10(16)8-4-6-13-14-8/h4,6,9H,3,5,7H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyUDAPJSXSUBOMFA-UHFFFAOYSA-N
XLogP1.13
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79544381
1-(2-bromofuran-3-carbonyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085166
3,3-dimethyl-1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106283369
1-(5-bromothiophene-3-carbonyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085190
[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95332333
2-(1H-pyrazole-5-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890418
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl(1H-pyrazol-5-yl)methanone
CID 56814323
3-ethyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55165492
tert-butyl (2S)-1-(1H-pyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 81004208
[(2S)-2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 124955168
[2-(2-hydroxypropyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79538087

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1H-pyrazole-5-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 3,3-dimethyl-1-(1H-pyrazole-5-carbonyl)piperidine-2-carboxylic acid (CID 114085024) is 3,3-dimethyl-1-(1H-pyrazole-5-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-1-(1H-pyrazole-5-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-1-(1H-pyrazole-5-carbonyl)piperidine-2-carboxylic acid is CC1(C)CCCN(C(=O)c2ccn[nH]2)C1C(=O)O.
What is the InChIKey of 3,3-dimethyl-1-(1H-pyrazole-5-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is UDAPJSXSUBOMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(2)5-3-7-15(9(12)11(17)18)10(16)8-4-6-13-14-8/h4,6,9H,3,5,7H2,1-2H3,(H,13,14)(H,17,18).
What are the key properties of 3,3-dimethyl-1-(1H-pyrazole-5-carbonyl)piperidine-2-carboxylic acid?
3,3-dimethyl-1-(1H-pyrazole-5-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1H-pyrazole-5-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114085024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).