1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid

C17H19N3O3 — CID 122106979

IUPAC1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCCC(C(=O)O)C2)ccc1-n1cccn1
InChIInChI=1S/C17H19N3O3/c1-12-10-13(5-6-15(12)20-9-3-7-18-20)16(21)19-8-2-4-14(11-19)17(22)23/h3,5-7,9-10,14H,2,4,8,11H2,1H3,(H,22,23)
InChIKeyGEXVPHFMINFXOM-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.12
Rot. Bonds3

About 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid

1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid (PubChem CID 122106979) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
PubChem CID122106979
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCCC(C(=O)O)C2)ccc1-n1cccn1
InChIInChI=1S/C17H19N3O3/c1-12-10-13(5-6-15(12)20-9-3-7-18-20)16(21)19-8-2-4-14(11-19)17(22)23/h3,5-7,9-10,14H,2,4,8,11H2,1H3,(H,22,23)
InChIKeyGEXVPHFMINFXOM-UHFFFAOYSA-N
XLogP2.12
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[methyl-(3-methyl-4-pyrazol-1-ylbenzoyl)amino]acetyl]piperidine-3-carboxylic acid
CID 122108313
(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 124576728
6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122112680
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 122107177
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 129350524
1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 126768644
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107727974
3-fluoro-1-(3-methyl-4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 122108072
(3S)-1-(3-aminobenzoyl)piperidine-3-carboxylic acid
CID 81125780

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid (CID 122106979) is 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid is Cc1cc(C(=O)N2CCCC(C(=O)O)C2)ccc1-n1cccn1.
What is the InChIKey of 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid?
The InChIKey is GEXVPHFMINFXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-10-13(5-6-15(12)20-9-3-7-18-20)16(21)19-8-2-4-14(11-19)17(22)23/h3,5-7,9-10,14H,2,4,8,11H2,1H3,(H,22,23).
What are the key properties of 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid?
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122106979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).