1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid

C14H21N3O3 — CID 84613412

IUPAC1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
SMILESCc1n[nH]c(C)c1CCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H21N3O3/c1-9-12(10(2)16-15-9)5-6-13(18)17-7-3-4-11(8-17)14(19)20/h11H,3-8H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyYCCRGZCZPQFROK-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.28
Rot. Bonds4

About 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid

1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid (PubChem CID 84613412) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
PubChem CID84613412
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
SMILESCc1n[nH]c(C)c1CCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H21N3O3/c1-9-12(10(2)16-15-9)5-6-13(18)17-7-3-4-11(8-17)14(19)20/h11H,3-8H2,1-2H3,(H,15,16)(H,19,20)
InChIKeyYCCRGZCZPQFROK-UHFFFAOYSA-N
XLogP1.28
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110106293
(3S)-1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 119137297
(3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 129494393
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 70749732
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 122257483
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]propan-1-one
CID 146103818
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
CID 122259514
ethyl 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-4-carboxylate
CID 110685572
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 122260474
(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 72851379

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid (CID 84613412) is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid is Cc1n[nH]c(C)c1CCC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is YCCRGZCZPQFROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-12(10(2)16-15-9)5-6-13(18)17-7-3-4-11(8-17)14(19)20/h11H,3-8H2,1-2H3,(H,15,16)(H,19,20).
What are the key properties of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid?
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 84613412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).