5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid

C17H19N3O4 — CID 119181333

IUPAC5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid
SMILESCOC1CCCN(C(=O)c2cc(C(=O)O)nn2-c2ccccc2)C1
InChIInChI=1S/C17H19N3O4/c1-24-13-8-5-9-19(11-13)16(21)15-10-14(17(22)23)18-20(15)12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9,11H2,1H3,(H,22,23)
InChIKeyNNNCEENJSWUPPA-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.82
Rot. Bonds4

About 5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid

5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid (PubChem CID 119181333) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid
PubChem CID119181333
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid
SMILESCOC1CCCN(C(=O)c2cc(C(=O)O)nn2-c2ccccc2)C1
InChIInChI=1S/C17H19N3O4/c1-24-13-8-5-9-19(11-13)16(21)15-10-14(17(22)23)18-20(15)12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9,11H2,1H3,(H,22,23)
InChIKeyNNNCEENJSWUPPA-UHFFFAOYSA-N
XLogP1.82
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 125152722
5-[(3R)-3-(methanesulfonamido)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 125152721
[(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone
CID 154848010
5-[[(1S,2R)-2-(3-methoxypyrrolidin-1-yl)cyclopentyl]carbamoyl]-1-phenylpyrazole-3-carboxylic acid
CID 126839421
5-(4-methylidenepiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid
CID 167976779
3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119379377
(1-methoxyisoquinolin-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 75419494
(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 9437858
(3-methoxypyrrolidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 108730568
5-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 119183904
1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid
CID 124701077
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid (CID 119181333) is 5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid is COC1CCCN(C(=O)c2cc(C(=O)O)nn2-c2ccccc2)C1.
What is the InChIKey of 5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is NNNCEENJSWUPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-24-13-8-5-9-19(11-13)16(21)15-10-14(17(22)23)18-20(15)12-6-3-2-4-7-12/h2-4,6-7,10,13H,5,8-9,11H2,1H3,(H,22,23).
What are the key properties of 5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid?
5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypiperidine-1-carbonyl)-1-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 119181333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).