3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid

C12H17N3O3 — CID 55165297

IUPAC3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C12H17N3O3/c1-12(11(17)18)4-2-6-14(9-12)10(16)8-15-7-3-5-13-15/h3,5,7H,2,4,6,8-9H2,1H3,(H,17,18)
InChIKeyWJWRTYYSVBDDQI-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.60
Rot. Bonds3

About 3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid

3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid (PubChem CID 55165297) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid
PubChem CID55165297
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C12H17N3O3/c1-12(11(17)18)4-2-6-14(9-12)10(16)8-15-7-3-5-13-15/h3,5,7H,2,4,6,8-9H2,1H3,(H,17,18)
InChIKeyWJWRTYYSVBDDQI-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-methyl-1-(4-pyrazol-1-ylbutanoyl)piperidine-3-carboxylic acid
CID 124755509
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone
CID 103726876
3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 107323394
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
CID 80707191
4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
CID 63125421
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 124641160
3-methyl-1-(2-pyridin-4-ylsulfanylacetyl)piperidine-3-carboxylic acid
CID 63134016
2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide
CID 73439576
1-(2-butylsulfanylacetyl)-3-methylpiperidine-3-carboxylic acid
CID 63134117
ethyl (3S)-3-(3-phenylpropyl)-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylate
CID 42245625
1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 64677649
1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63136050

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid (CID 55165297) is 3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)Cn2cccn2)C1.
What is the InChIKey of 3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid?
The InChIKey is WJWRTYYSVBDDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(11(17)18)4-2-6-14(9-12)10(16)8-15-7-3-5-13-15/h3,5,7H,2,4,6,8-9H2,1H3,(H,17,18).
What are the key properties of 3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid?
3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 55165297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).