(3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid

C17H19N3O4 — CID 165427977

IUPAC(3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCc1[nH]nc(-c2ccccc2)c1C(=O)N1CC[C@H](O)[C@H](C(=O)O)C1
InChIInChI=1S/C17H19N3O4/c1-10-14(15(19-18-10)11-5-3-2-4-6-11)16(22)20-8-7-13(21)12(9-20)17(23)24/h2-6,12-13,21H,7-9H2,1H3,(H,18,19)(H,23,24)/t12-,13+/m1/s1
InChIKeyVNCBNMSSSKOFJX-OLZOCXBDSA-N
MW329.36 g/mol
LogP1.29
Rot. Bonds3

About (3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid

(3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 165427977) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID165427977
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCc1[nH]nc(-c2ccccc2)c1C(=O)N1CC[C@H](O)[C@H](C(=O)O)C1
InChIInChI=1S/C17H19N3O4/c1-10-14(15(19-18-10)11-5-3-2-4-6-11)16(22)20-8-7-13(21)12(9-20)17(23)24/h2-6,12-13,21H,7-9H2,1H3,(H,18,19)(H,23,24)/t12-,13+/m1/s1
InChIKeyVNCBNMSSSKOFJX-OLZOCXBDSA-N
XLogP1.29
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-hydroxy-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 156585563
(5-methyl-3-phenyl-1H-pyrazol-4-yl)-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157017306
[(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 169410585
3-[(dimethylamino)methyl]-8-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 172669525
(4-benzyl-4-hydroxypiperidin-1-yl)-(5-methyl-3-pyridin-4-yl-1H-pyrazol-4-yl)methanone
CID 89485449
(3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 110878380
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 59170027
1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918216
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(5-methyl-3-phenyl-1H-pyrazol-4-yl)methanone
CID 163318915
(3,4-dihydroxypyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 106673072
5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylic acid
CID 83532093
(3R,4S)-4-hydroxy-1-[2-(2-phenylethoxy)benzoyl]piperidine-3-carboxylic acid
CID 165423477

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid (CID 165427977) is (3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid is Cc1[nH]nc(-c2ccccc2)c1C(=O)N1CC[C@H](O)[C@H](C(=O)O)C1.
What is the InChIKey of (3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is VNCBNMSSSKOFJX-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-10-14(15(19-18-10)11-5-3-2-4-6-11)16(22)20-8-7-13(21)12(9-20)17(23)24/h2-6,12-13,21H,7-9H2,1H3,(H,18,19)(H,23,24)/t12-,13+/m1/s1.
What are the key properties of (3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid?
(3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-hydroxy-1-(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 165427977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).