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

C15H14ClN3O4 — CID 125153701

IUPAC(3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C15H14ClN3O4/c16-10-2-1-3-11(8-10)19-5-4-12(17-19)14(20)18-6-7-23-9-13(18)15(21)22/h1-5,8,13H,6-7,9H2,(H,21,22)/t13-/m1/s1
InChIKeyVZGJYWHQLHCKJK-CYBMUJFWSA-N
MW335.75 g/mol
LogP1.45
Rot. Bonds3

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

(3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid (PubChem CID 125153701) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is (3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid
PubChem CID125153701
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Name(3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C15H14ClN3O4/c16-10-2-1-3-11(8-10)19-5-4-12(17-19)14(20)18-6-7-23-9-13(18)15(21)22/h1-5,8,13H,6-7,9H2,(H,21,22)/t13-/m1/s1
InChIKeyVZGJYWHQLHCKJK-CYBMUJFWSA-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-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120451
(3S)-4-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid
CID 125133250
(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921319
(3S)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 119173755
(3R)-1-[1-(3-chlorophenyl)pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 124576615
[1-(3-chlorophenyl)pyrazol-3-yl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572924
(3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125119411
[2-(aminomethyl)piperidin-1-yl]-[1-(3-chlorophenyl)pyrazol-3-yl]methanone
CID 119467359
1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 119175836
4-(1-benzyl-6-oxopyridazine-3-carbonyl)morpholine-3-carboxylic acid
CID 154743508
[1-(3-chlorophenyl)pyrazol-3-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 55930139
(3S)-4-[(1S,2R)-2-(3-chlorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125153592

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid (CID 125153701) is (3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid is O=C(O)[C@H]1COCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1.
What is the InChIKey of (3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is VZGJYWHQLHCKJK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c16-10-2-1-3-11(8-10)19-5-4-12(17-19)14(20)18-6-7-23-9-13(18)15(21)22/h1-5,8,13H,6-7,9H2,(H,21,22)/t13-/m1/s1.
What are the key properties of (3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid?
(3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-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 (3R)-4-[1-(3-chlorophenyl)pyrazole-3-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125153701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).