1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid

C18H21N3O4 — CID 120512556

IUPAC1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)N3CCCC(C(=O)O)C3)cc2C)cc1
InChIInChI=1S/C18H21N3O4/c1-12-10-16(17(22)20-9-3-4-13(11-20)18(23)24)19-21(12)14-5-7-15(25-2)8-6-14/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,23,24)
InChIKeySOLAOYBJYVSXFT-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.13
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid

1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid (PubChem CID 120512556) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid
PubChem CID120512556
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)N3CCCC(C(=O)O)C3)cc2C)cc1
InChIInChI=1S/C18H21N3O4/c1-12-10-16(17(22)20-9-3-4-13(11-20)18(23)24)19-21(12)14-5-7-15(25-2)8-6-14/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,23,24)
InChIKeySOLAOYBJYVSXFT-UHFFFAOYSA-N
XLogP2.13
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110373220
[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110373058
1-[1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120533881
[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110372815
(3S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119112072
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43355913
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
(3S)-1-[5-(4-methoxyphenyl)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 120514160
(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride
CID 119378655
1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 82546755

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid (CID 120512556) is 1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid is COc1ccc(-n2nc(C(=O)N3CCCC(C(=O)O)C3)cc2C)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is SOLAOYBJYVSXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-10-16(17(22)20-9-3-4-13(11-20)18(23)24)19-21(12)14-5-7-15(25-2)8-6-14/h5-8,10,13H,3-4,9,11H2,1-2H3,(H,23,24).
What are the key properties of 1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid?
1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 120512556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).