2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid

C16H16FN3O4 — CID 129469777

IUPAC2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H16FN3O4/c17-11-3-1-10(2-4-11)13-8-14(19-18-13)16(23)20-5-6-24-9-12(20)7-15(21)22/h1-4,8,12H,5-7,9H2,(H,18,19)(H,21,22)/t12-/m1/s1
InChIKeyHAHAESWFNMTOCJ-GFCCVEGCSA-N
MW333.32 g/mol
LogP1.53
Rot. Bonds4

About 2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid

2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid (PubChem CID 129469777) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is 2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid
PubChem CID129469777
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C16H16FN3O4/c17-11-3-1-10(2-4-11)13-8-14(19-18-13)16(23)20-5-6-24-9-12(20)7-15(21)22/h1-4,8,12H,5-7,9H2,(H,18,19)(H,21,22)/t12-/m1/s1
InChIKeyHAHAESWFNMTOCJ-GFCCVEGCSA-N
XLogP1.53
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107013727
2-[4-(6-oxo-1H-pyridine-2-carbonyl)morpholin-3-yl]acetic acid
CID 114040095
2-[(3S)-4-(pyridine-4-carbonyl)morpholin-3-yl]acetic acid
CID 124572359
2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 56892320
2-[(3S)-4-(2-chloro-4,5-difluorobenzoyl)morpholin-3-yl]acetic acid
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2-[4-(3,5-dibromobenzoyl)morpholin-3-yl]acetic acid
CID 107971589
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 51939239
2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107721744
2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid
CID 81266026
2-[(3R)-4-(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 95711057
2-[(3R)-4-(3-fluoro-4-methoxybenzoyl)morpholin-3-yl]acetic acid
CID 129381420
(2S)-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]azetidine-2-carboxylic acid
CID 97274526

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid (CID 129469777) is 2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid is O=C(O)C[C@@H]1COCCN1C(=O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid?
The InChIKey is HAHAESWFNMTOCJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16FN3O4/c17-11-3-1-10(2-4-11)13-8-14(19-18-13)16(23)20-5-6-24-9-12(20)7-15(21)22/h1-4,8,12H,5-7,9H2,(H,18,19)(H,21,22)/t12-/m1/s1.
What are the key properties of 2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid?
2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid has a molecular weight of 333.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 129469777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).