(2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid

C15H14BrN3O4 — CID 124610763

IUPAC(2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CCO1
InChIInChI=1S/C15H14BrN3O4/c16-11-12(9-4-2-1-3-5-9)17-18-13(11)14(20)19-6-7-23-10(8-19)15(21)22/h1-5,10H,6-8H2,(H,17,18)(H,21,22)/t10-/m1/s1
InChIKeyJCWKQOLWPMEXCA-SNVBAGLBSA-N
MW380.20 g/mol
LogP1.76
Rot. Bonds3

About (2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid

(2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid (PubChem CID 124610763) has the molecular formula C15H14BrN3O4 and a molecular weight of 380.20 g/mol. Its IUPAC name is (2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid
PubChem CID124610763
Molecular FormulaC15H14BrN3O4
Molecular Weight380.20 g/mol
Exact Mass379.02
IUPAC Name(2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CCO1
InChIInChI=1S/C15H14BrN3O4/c16-11-12(9-4-2-1-3-5-9)17-18-13(11)14(20)19-6-7-23-10(8-19)15(21)22/h1-5,10H,6-8H2,(H,17,18)(H,21,22)/t10-/m1/s1
InChIKeyJCWKQOLWPMEXCA-SNVBAGLBSA-N
XLogP1.76
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.20
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118485
(4-aminopiperidin-1-yl)-(4-bromo-3-phenyl-1H-pyrazol-5-yl)methanone;hydrochloride
CID 119376856
4-(3-bromo-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119239332
(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493767
(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398900
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
4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 119358047
4-(6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 119357870
4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid
CID 56908982
(2S)-4-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]morpholine-2-carboxylic acid
CID 95892043
4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid
CID 120526060

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid (CID 124610763) is (2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)c2[nH]nc(-c3ccccc3)c2Br)CCO1.
What is the InChIKey of (2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is JCWKQOLWPMEXCA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14BrN3O4/c16-11-12(9-4-2-1-3-5-9)17-18-13(11)14(20)19-6-7-23-10(8-19)15(21)22/h1-5,10H,6-8H2,(H,17,18)(H,21,22)/t10-/m1/s1.
What are the key properties of (2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid?
(2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 380.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 124610763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).