1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid

C17H19N3O3 — CID 166193415

IUPAC1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid
SMILESCc1cccc(C(=O)N2CCCC(n3cc(C(=O)O)cn3)C2)c1
InChIInChI=1S/C17H19N3O3/c1-12-4-2-5-13(8-12)16(21)19-7-3-6-15(11-19)20-10-14(9-18-20)17(22)23/h2,4-5,8-10,15H,3,6-7,11H2,1H3,(H,22,23)
InChIKeyUJYJQVYOOASLSL-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.37
Rot. Bonds3

About 1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid

1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid (PubChem CID 166193415) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid
PubChem CID166193415
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid
SMILESCc1cccc(C(=O)N2CCCC(n3cc(C(=O)O)cn3)C2)c1
InChIInChI=1S/C17H19N3O3/c1-12-4-2-5-13(8-12)16(21)19-7-3-6-15(11-19)20-10-14(9-18-20)17(22)23/h2,4-5,8-10,15H,3,6-7,11H2,1H3,(H,22,23)
InChIKeyUJYJQVYOOASLSL-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119881469
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95382966
1-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 75514798
1-[(3S)-1-(3-methylfuran-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 97332238
1-[1-(4-benzyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]pyrazole-4-carboxylic acid
CID 166304225
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 95282434
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide
CID 136543844
[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91908519
(3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110441496
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid (CID 166193415) is 1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid is Cc1cccc(C(=O)N2CCCC(n3cc(C(=O)O)cn3)C2)c1.
What is the InChIKey of 1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid?
The InChIKey is UJYJQVYOOASLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-4-2-5-13(8-12)16(21)19-7-3-6-15(11-19)20-10-14(9-18-20)17(22)23/h2,4-5,8-10,15H,3,6-7,11H2,1H3,(H,22,23).
What are the key properties of 1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid?
1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbenzoyl)piperidin-3-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 166193415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).