1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid

C17H19N3O3 — CID 75469055

IUPAC1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1-n1cc(C(=O)N2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C17H19N3O3/c1-12-4-2-3-5-15(12)20-11-14(10-18-20)16(21)19-8-6-13(7-9-19)17(22)23/h2-5,10-11,13H,6-9H2,1H3,(H,22,23)
InChIKeyLCJMAPQYWVQBRG-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.12
Rot. Bonds3

About 1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid

1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid (PubChem CID 75469055) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
PubChem CID75469055
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1-n1cc(C(=O)N2CCC(C(=O)O)CC2)cn1
InChIInChI=1S/C17H19N3O3/c1-12-4-2-3-5-15(12)20-11-14(10-18-20)16(21)19-8-6-13(7-9-19)17(22)23/h2-5,10-11,13H,6-9H2,1H3,(H,22,23)
InChIKeyLCJMAPQYWVQBRG-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-4-methyl-1-[1-(2-methylphenyl)pyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 120953540
[(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 124593909
1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154739511
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 120745668
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
[1-(2-chlorophenyl)pyrazol-4-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429744
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 120809839
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 9162740
2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 138999558
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 129488432

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid (CID 75469055) is 1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid is Cc1ccccc1-n1cc(C(=O)N2CCC(C(=O)O)CC2)cn1.
What is the InChIKey of 1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is LCJMAPQYWVQBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-4-2-3-5-15(12)20-11-14(10-18-20)16(21)19-8-6-13(7-9-19)17(22)23/h2-5,10-11,13H,6-9H2,1H3,(H,22,23).
What are the key properties of 1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid?
1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 75469055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).