(3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid

C17H19N3O3 — CID 120514251

IUPAC(3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCn1ncc(C(=O)N2CCC[C@H](C(=O)O)C2)c1-c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-19-15(12-6-3-2-4-7-12)14(10-18-19)16(21)20-9-5-8-13(11-20)17(22)23/h2-4,6-7,10,13H,5,8-9,11H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyFBIDOJUFTPBBIK-ZDUSSCGKSA-N
MW313.36 g/mol
LogP2.02
Rot. Bonds3

About (3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid

(3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid (PubChem CID 120514251) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
PubChem CID120514251
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
SMILESCn1ncc(C(=O)N2CCC[C@H](C(=O)O)C2)c1-c1ccccc1
InChIInChI=1S/C17H19N3O3/c1-19-15(12-6-3-2-4-7-12)14(10-18-19)16(21)20-9-5-8-13(11-20)17(22)23/h2-4,6-7,10,13H,5,8-9,11H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyFBIDOJUFTPBBIK-ZDUSSCGKSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 146086934
1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122093530
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
(4a-bromo-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(1-methyl-5-phenylpyrazol-4-yl)methanone
CID 58724589
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
CID 97233562
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
6-azaspiro[3.4]octan-6-yl-(1-methyl-5-phenylpyrazol-4-yl)methanone
CID 100903578
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
(3S)-1-(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidine-3-carboxylic acid
CID 119173783
(3R)-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 99821823
(3S)-1-(2-methylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 119112070

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid (CID 120514251) is (3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid is Cn1ncc(C(=O)N2CCC[C@H](C(=O)O)C2)c1-c1ccccc1.
What is the InChIKey of (3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is FBIDOJUFTPBBIK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-19-15(12-6-3-2-4-7-12)14(10-18-19)16(21)20-9-5-8-13(11-20)17(22)23/h2-4,6-7,10,13H,5,8-9,11H2,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of (3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid?
(3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 120514251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).