(2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid

C15H14FN3O4 — CID 125118691

IUPAC(2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H14FN3O4/c16-10-3-1-9(2-4-10)13-11(7-17-18-13)14(20)19-5-6-23-12(8-19)15(21)22/h1-4,7,12H,5-6,8H2,(H,17,18)(H,21,22)/t12-/m0/s1
InChIKeyQQYXBPAOVXYYTI-LBPRGKRZSA-N
MW319.29 g/mol
LogP1.14
Rot. Bonds3

About (2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid

(2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid (PubChem CID 125118691) has the molecular formula C15H14FN3O4 and a molecular weight of 319.29 g/mol. Its IUPAC name is (2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid
PubChem CID125118691
Molecular FormulaC15H14FN3O4
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Name(2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H14FN3O4/c16-10-3-1-9(2-4-10)13-11(7-17-18-13)14(20)19-5-6-23-12(8-19)15(21)22/h1-4,7,12H,5-6,8H2,(H,17,18)(H,21,22)/t12-/m0/s1
InChIKeyQQYXBPAOVXYYTI-LBPRGKRZSA-N
XLogP1.14
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
CID 95871666
4-[1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239800
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 120658691
(4-aminopiperidin-1-yl)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone;hydrochloride
CID 119376653
(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid
CID 124704099
(2S)-4-[1-(4-fluorophenyl)pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 125120561
(3S)-1-(5-pyridin-4-yl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 129466182
1-(5-pyridin-4-yl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354808
[(3S)-3-ethoxypiperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95584023
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 25341652
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone
CID 97305915
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 79030002

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid (CID 125118691) is (2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(C(=O)c2cn[nH]c2-c2ccc(F)cc2)CCO1.
What is the InChIKey of (2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is QQYXBPAOVXYYTI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H14FN3O4/c16-10-3-1-9(2-4-10)13-11(7-17-18-13)14(20)19-5-6-23-12(8-19)15(21)22/h1-4,7,12H,5-6,8H2,(H,17,18)(H,21,22)/t12-/m0/s1.
What are the key properties of (2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid?
(2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 319.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125118691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).