1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid

C17H19N3O3 — CID 122107177

IUPAC1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCCCC2C(=O)O)ccc1-n1cccn1
InChIInChI=1S/C17H19N3O3/c1-12-11-13(6-7-14(12)20-10-4-8-18-20)16(21)19-9-3-2-5-15(19)17(22)23/h4,6-8,10-11,15H,2-3,5,9H2,1H3,(H,22,23)
InChIKeyHPAZMUBGTMWXTI-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.26
Rot. Bonds3

About 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid

1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid (PubChem CID 122107177) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid
PubChem CID122107177
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCCCC2C(=O)O)ccc1-n1cccn1
InChIInChI=1S/C17H19N3O3/c1-12-11-13(6-7-14(12)20-10-4-8-18-20)16(21)19-9-3-2-5-15(19)17(22)23/h4,6-8,10-11,15H,2-3,5,9H2,1H3,(H,22,23)
InChIKeyHPAZMUBGTMWXTI-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122112680
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122106979
(2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78920096
(2S)-1-(3-bromo-4-methylbenzoyl)piperidine-2-carboxylic acid
CID 81472429
(2S)-1-(2H-benzotriazole-5-carbonyl)piperidine-2-carboxylic acid
CID 66263146
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
1-(3-chloro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 63194302
1-(3-pyrrol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 119164521
(2S)-1-[3-(dimethylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 99713728
(2R)-1-[3-(dimethylamino)benzoyl]piperidine-2-carboxylic acid
CID 79034431
1-(3-fluoro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 16775996
1-(3-iodo-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119357048

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid (CID 122107177) is 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid is Cc1cc(C(=O)N2CCCCC2C(=O)O)ccc1-n1cccn1.
What is the InChIKey of 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid?
The InChIKey is HPAZMUBGTMWXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-11-13(6-7-14(12)20-10-4-8-18-20)16(21)19-9-3-2-5-15(19)17(22)23/h4,6-8,10-11,15H,2-3,5,9H2,1H3,(H,22,23).
What are the key properties of 1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid?
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.26, 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-2-carboxylic acid is sourced from PubChem (CID 122107177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).