(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid

C15H16FN3O3 — CID 95871666

IUPAC(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2cn[nH]c2-c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H16FN3O3/c16-12-3-1-10(2-4-12)14-11(7-17-18-14)8-19-5-6-22-13(9-19)15(20)21/h1-4,7,13H,5-6,8-9H2,(H,17,18)(H,20,21)/t13-/m0/s1
InChIKeyCZZGBTANUPMOIH-ZDUSSCGKSA-N
MW305.31 g/mol
LogP1.50
Rot. Bonds4

About (2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid

(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid (PubChem CID 95871666) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is (2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
PubChem CID95871666
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2cn[nH]c2-c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H16FN3O3/c16-12-3-1-10(2-4-12)14-11(7-17-18-14)8-19-5-6-22-13(9-19)15(20)21/h1-4,7,13H,5-6,8-9H2,(H,17,18)(H,20,21)/t13-/m0/s1
InChIKeyCZZGBTANUPMOIH-ZDUSSCGKSA-N
XLogP1.50
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid (CID 95871666) is (2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(Cc2cn[nH]c2-c2ccc(F)cc2)CCO1.
What is the InChIKey of (2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid?
The InChIKey is CZZGBTANUPMOIH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16FN3O3/c16-12-3-1-10(2-4-12)14-11(7-17-18-14)8-19-5-6-22-13(9-19)15(20)21/h1-4,7,13H,5-6,8-9H2,(H,17,18)(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid?
(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of 1.50, 4 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-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 95871666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).