(2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid

C15H14ClN3O4 — CID 125120451

IUPAC(2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CCO1
InChIInChI=1S/C15H14ClN3O4/c16-10-2-1-3-11(8-10)19-5-4-12(17-19)14(20)18-6-7-23-13(9-18)15(21)22/h1-5,8,13H,6-7,9H2,(H,21,22)/t13-/m0/s1
InChIKeyFQYAOJOGBMHPNJ-ZDUSSCGKSA-N
MW335.75 g/mol
LogP1.45
Rot. Bonds3

About (2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid

(2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid (PubChem CID 125120451) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is (2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
PubChem CID125120451
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Name(2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CCO1
InChIInChI=1S/C15H14ClN3O4/c16-10-2-1-3-11(8-10)19-5-4-12(17-19)14(20)18-6-7-23-13(9-18)15(21)22/h1-5,8,13H,6-7,9H2,(H,21,22)/t13-/m0/s1
InChIKeyFQYAOJOGBMHPNJ-ZDUSSCGKSA-N
XLogP1.45
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641
(3R)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 124576615
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 119173755
(2S)-4-[1-(4-fluorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120561
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]pyrrolidine-3-carboxamide
CID 95149478
(3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid
CID 125153701
[1-(3-chlorophenyl)pyrazol-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110901194
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 120660118
2-[(2S)-4-[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 124702711
[1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 55930139
4-(1-phenyltriazole-4-carbonyl)morpholine-2-carboxylic acid
CID 119239902
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3-chlorophenyl)pyrazol-3-yl]methanone;hydrochloride
CID 120820060

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid (CID 125120451) is (2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CCO1.
What is the InChIKey of (2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is FQYAOJOGBMHPNJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c16-10-2-1-3-11(8-10)19-5-4-12(17-19)14(20)18-6-7-23-13(9-18)15(21)22/h1-5,8,13H,6-7,9H2,(H,21,22)/t13-/m0/s1.
What are the key properties of (2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid?
(2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 335.75 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125120451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).