1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid

C15H23N3O3 — CID 114427118

IUPAC1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)Cc2c(C)n[nH]c2C)C(C(=O)O)C1
InChIInChI=1S/C15H23N3O3/c1-4-11-5-6-18(13(7-11)15(20)21)14(19)8-12-9(2)16-17-10(12)3/h11,13H,4-8H2,1-3H3,(H,16,17)(H,20,21)
InChIKeySFMAEFCWWXJPAB-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.67
Rot. Bonds4

About 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid

1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114427118) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid
PubChem CID114427118
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(C(=O)Cc2c(C)n[nH]c2C)C(C(=O)O)C1
InChIInChI=1S/C15H23N3O3/c1-4-11-5-6-18(13(7-11)15(20)21)14(19)8-12-9(2)16-17-10(12)3/h11,13H,4-8H2,1-3H3,(H,16,17)(H,20,21)
InChIKeySFMAEFCWWXJPAB-UHFFFAOYSA-N
XLogP1.67
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43359724
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-5-oxopiperazine-2-carboxylic acid
CID 107432921
1-butanoyl-4-ethylpiperidine-2-carboxylic acid
CID 114426953
4-ethyl-1-(2-methylsulfonylacetyl)piperidine-2-carboxylic acid
CID 114427207
1-(2-ethoxyacetyl)-4-ethylpiperidine-2-carboxylic acid
CID 114426976
4-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-2-carboxylic acid
CID 114427184
3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791600
4-ethyl-1-[2-(3-hydroxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 114426970
[(3S)-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 125161180
4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid
CID 114427323
4-ethyl-1-(3-methylsulfanylpropanoyl)piperidine-2-carboxylic acid
CID 114427038
4-ethyl-1-(2-pyrrolidin-2-ylacetyl)piperidine-2-carboxylic acid
CID 114429627

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid (CID 114427118) is 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(C(=O)Cc2c(C)n[nH]c2C)C(C(=O)O)C1.
What is the InChIKey of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is SFMAEFCWWXJPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-11-5-6-18(13(7-11)15(20)21)14(19)8-12-9(2)16-17-10(12)3/h11,13H,4-8H2,1-3H3,(H,16,17)(H,20,21).
What are the key properties of 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid?
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114427118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).