1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid

C12H15N3O5 — CID 115918216

IUPAC1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESCc1[nH]ncc1C(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C12H15N3O5/c1-6-8(4-13-14-6)10(16)15-3-2-7(11(17)18)9(5-15)12(19)20/h4,7,9H,2-3,5H2,1H3,(H,13,14)(H,17,18)(H,19,20)
InChIKeyXCVNYSGFECFYOU-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.03
Rot. Bonds3

About 1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid

1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid (PubChem CID 115918216) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
PubChem CID115918216
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
SMILESCc1[nH]ncc1C(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C12H15N3O5/c1-6-8(4-13-14-6)10(16)15-3-2-7(11(17)18)9(5-15)12(19)20/h4,7,9H,2-3,5H2,1H3,(H,13,14)(H,17,18)(H,19,20)
InChIKeyXCVNYSGFECFYOU-UHFFFAOYSA-N
XLogP-0.03
TPSA123.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-(5-methyl-1H-pyrazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120949289
N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide
CID 77042423
[3-ethyl-4-(methylamino)piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 114506404
N-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-4-yl]acetamide
CID 112687931
(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62065172
1-(2H-triazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568004
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 124606178
(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78993916
cis-(1S,2R)-2-[4-(5-methyl-1H-pyrazol-4-yl)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 167872863
1-(4-methyl-1,2-oxazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918349
1-(4-methylbenzoyl)piperidine-3,4-dicarboxylic acid
CID 115918184
1-(1H-imidazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568032

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid (CID 115918216) is 1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid is Cc1[nH]ncc1C(=O)N1CCC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is XCVNYSGFECFYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-6-8(4-13-14-6)10(16)15-3-2-7(11(17)18)9(5-15)12(19)20/h4,7,9H,2-3,5H2,1H3,(H,13,14)(H,17,18)(H,19,20).
What are the key properties of 1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid?
1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).