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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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).