(3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid

C23H23N3O4 — CID 156585563

IUPAC(3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCc1c(C(=O)N2CC[C@@H](O)[C@H](C(=O)O)C2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H23N3O4/c1-15-20(22(28)25-13-12-19(27)18(14-25)23(29)30)21(16-8-4-2-5-9-16)24-26(15)17-10-6-3-7-11-17/h2-11,18-19,27H,12-14H2,1H3,(H,29,30)/t18-,19-/m1/s1
InChIKeyZESUBNKGHQZLNS-RTBURBONSA-N
MW405.45 g/mol
LogP2.76
Rot. Bonds4

About (3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid

(3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 156585563) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is (3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID156585563
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name(3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCc1c(C(=O)N2CC[C@@H](O)[C@H](C(=O)O)C2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H23N3O4/c1-15-20(22(28)25-13-12-19(27)18(14-25)23(29)30)21(16-8-4-2-5-9-16)24-26(15)17-10-6-3-7-11-17/h2-11,18-19,27H,12-14H2,1H3,(H,29,30)/t18-,19-/m1/s1
InChIKeyZESUBNKGHQZLNS-RTBURBONSA-N
XLogP2.76
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid (CID 156585563) is (3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid is Cc1c(C(=O)N2CC[C@@H](O)[C@H](C(=O)O)C2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of (3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is ZESUBNKGHQZLNS-RTBURBONSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-15-20(22(28)25-13-12-19(27)18(14-25)23(29)30)21(16-8-4-2-5-9-16)24-26(15)17-10-6-3-7-11-17/h2-11,18-19,27H,12-14H2,1H3,(H,29,30)/t18-,19-/m1/s1.
What are the key properties of (3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
(3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 405.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 156585563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).