(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid

C15H15N3O4 — CID 125148641

IUPAC(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)CCO1
InChIInChI=1S/C15H15N3O4/c19-14(17-8-9-22-13(10-17)15(20)21)12-6-7-18(16-12)11-4-2-1-3-5-11/h1-7,13H,8-10H2,(H,20,21)/t13-/m0/s1
InChIKeyLXGOLYQGJRBAQY-ZDUSSCGKSA-N
MW301.30 g/mol
LogP0.80
Rot. Bonds3

About (2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid

(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid (PubChem CID 125148641) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is (2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
PubChem CID125148641
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)CCO1
InChIInChI=1S/C15H15N3O4/c19-14(17-8-9-22-13(10-17)15(20)21)12-6-7-18(16-12)11-4-2-1-3-5-11/h1-7,13H,8-10H2,(H,20,21)/t13-/m0/s1
InChIKeyLXGOLYQGJRBAQY-ZDUSSCGKSA-N
XLogP0.80
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-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

(2S)-4-[1-(4-fluorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120561
(2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120451
4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid
CID 119239902
4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid
CID 120526060
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 62371842
4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 119239890
(2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 129466190
[3-(methylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 119493699
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
1-[1-(4-fluorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355330
(1-phenylpyrazol-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996125
4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxylic acid
CID 119357981

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid (CID 125148641) is (2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)c2ccn(-c3ccccc3)n2)CCO1.
What is the InChIKey of (2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is LXGOLYQGJRBAQY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-14(17-8-9-22-13(10-17)15(20)21)12-6-7-18(16-12)11-4-2-1-3-5-11/h1-7,13H,8-10H2,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid?
(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 125148641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).