1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid

C18H20FN3O3 — CID 119166052

IUPAC1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
SMILESCCc1c(C(=O)N2CCC(C(=O)O)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O3/c1-2-16-15(11-20-22(16)14-5-3-13(19)4-6-14)17(23)21-9-7-12(8-10-21)18(24)25/h3-6,11-12H,2,7-10H2,1H3,(H,24,25)
InChIKeyVUGVWPJMIYKYDX-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.51
Rot. Bonds4

About 1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid

1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid (PubChem CID 119166052) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
PubChem CID119166052
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
SMILESCCc1c(C(=O)N2CCC(C(=O)O)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O3/c1-2-16-15(11-20-22(16)14-5-3-13(19)4-6-14)17(23)21-9-7-12(8-10-21)18(24)25/h3-6,11-12H,2,7-10H2,1H3,(H,24,25)
InChIKeyVUGVWPJMIYKYDX-UHFFFAOYSA-N
XLogP2.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119173520
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-thiomorpholin-4-ylmethanone
CID 56815923
(3,5-dimethylpiperidin-1-yl)-[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]methanone
CID 46589101
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 126773665
[5-ethyl-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886741
[4-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 51133320
N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480273
1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-propylpiperidine-4-carboxamide
CID 134053554
2-[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 39325357
1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide
CID 31901327
1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55815469
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78873933

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid (CID 119166052) is 1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid is CCc1c(C(=O)N2CCC(C(=O)O)CC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is VUGVWPJMIYKYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-2-16-15(11-20-22(16)14-5-3-13(19)4-6-14)17(23)21-9-7-12(8-10-21)18(24)25/h3-6,11-12H,2,7-10H2,1H3,(H,24,25).
What are the key properties of 1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid?
1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 345.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119166052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).