(2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid

C17H19N3O3 — CID 122115093

IUPAC(2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H19N3O3/c1-12-15(17(22)23)8-5-9-19(12)16(21)13-10-18-20(11-13)14-6-3-2-4-7-14/h2-4,6-7,10-12,15H,5,8-9H2,1H3,(H,22,23)/t12-,15-/m1/s1
InChIKeyPKPLMBBDRFELPP-IUODEOHRSA-N
MW313.36 g/mol
LogP2.20
Rot. Bonds3

About (2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid

(2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122115093) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID122115093
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H19N3O3/c1-12-15(17(22)23)8-5-9-19(12)16(21)13-10-18-20(11-13)14-6-3-2-4-7-14/h2-4,6-7,10-12,15H,5,8-9H2,1H3,(H,22,23)/t12-,15-/m1/s1
InChIKeyPKPLMBBDRFELPP-IUODEOHRSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-1-[1-(4-bromophenyl)pyrazole-4-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115497
(2R,3R)-2-methyl-1-[1-(4-nitrophenyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122115499
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 66260903
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
(2R)-1-(1-pyridin-3-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370965
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
[(3R)-3-methylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 81426790
(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116461
(2R,3R)-2-methyl-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 122114653
(3-amino-4-methylpyrrolidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 103575963
(2R,3R)-1-(imidazo[1,5-a]pyridine-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116730
(2R,3R)-2-methyl-1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 122115467

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid (CID 122115093) is (2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is PKPLMBBDRFELPP-IUODEOHRSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-15(17(22)23)8-5-9-19(12)16(21)13-10-18-20(11-13)14-6-3-2-4-7-14/h2-4,6-7,10-12,15H,5,8-9H2,1H3,(H,22,23)/t12-,15-/m1/s1.
What are the key properties of (2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
(2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methyl-1-(1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122115093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).