1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C16H19N3O3S — CID 56895738

IUPAC1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCCc1cc(C(=O)N2CCC(C(=O)O)(n3cccn3)CC2)cs1
InChIInChI=1S/C16H19N3O3S/c1-2-13-10-12(11-23-13)14(20)18-8-4-16(5-9-18,15(21)22)19-7-3-6-17-19/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,21,22)
InChIKeyRKKZGRPFTPAJNJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.22
Rot. Bonds4

About 1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56895738) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56895738
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCCc1cc(C(=O)N2CCC(C(=O)O)(n3cccn3)CC2)cs1
InChIInChI=1S/C16H19N3O3S/c1-2-13-10-12(11-23-13)14(20)18-8-4-16(5-9-18,15(21)22)19-7-3-6-17-19/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,21,22)
InChIKeyRKKZGRPFTPAJNJ-UHFFFAOYSA-N
XLogP2.22
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1H-indene-5-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56914858
1-(1-benzofuran-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56886314
1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56889059
[4-(azetidine-1-carbonyl)-4-pyrazol-1-ylpiperidin-1-yl]-(4-ethylphenyl)methanone
CID 155877979
1-(2-methyl-1-benzofuran-7-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56892046
1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56915855
(5-ethylthiophen-3-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217714
1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56904889
(5-ethylthiophen-3-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 17217513
1-(2-phenylmethoxyacetyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56890003
1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56914290
4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid
CID 56891314

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56895738) is 1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is CCc1cc(C(=O)N2CCC(C(=O)O)(n3cccn3)CC2)cs1.
What is the InChIKey of 1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is RKKZGRPFTPAJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-2-13-10-12(11-23-13)14(20)18-8-4-16(5-9-18,15(21)22)19-7-3-6-17-19/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,21,22).
What are the key properties of 1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 333.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophene-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56895738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).