2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid

C18H20FN3O4 — CID 119247842

IUPAC2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCOC(CC(=O)O)C3)cc2F)n1
InChIInChI=1S/C18H20FN3O4/c1-11-7-12(2)22(20-11)16-4-3-13(8-15(16)19)18(25)21-5-6-26-14(10-21)9-17(23)24/h3-4,7-8,14H,5-6,9-10H2,1-2H3,(H,23,24)
InChIKeyNLVGRCHSGSUFLA-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.94
Rot. Bonds4

About 2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid

2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid (PubChem CID 119247842) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid
PubChem CID119247842
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCOC(CC(=O)O)C3)cc2F)n1
InChIInChI=1S/C18H20FN3O4/c1-11-7-12(2)22(20-11)16-4-3-13(8-15(16)19)18(25)21-5-6-26-14(10-21)9-17(23)24/h3-4,7-8,14H,5-6,9-10H2,1-2H3,(H,23,24)
InChIKeyNLVGRCHSGSUFLA-UHFFFAOYSA-N
XLogP1.94
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[(2S)-4-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124695396
[(3S,5R)-3,5-dimethylpiperazin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone
CID 124590558
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride
CID 119376909
(3R)-4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholine-3-carboxylic acid
CID 125153884
2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 167893929
2-[(2S)-4-[4-(3,4,5-trifluorophenyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702697
[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434091
2-[4-(2,5-dimethylpyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421729

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid (CID 119247842) is 2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid is Cc1cc(C)n(-c2ccc(C(=O)N3CCOC(CC(=O)O)C3)cc2F)n1.
What is the InChIKey of 2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid?
The InChIKey is NLVGRCHSGSUFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c1-11-7-12(2)22(20-11)16-4-3-13(8-15(16)19)18(25)21-5-6-26-14(10-21)9-17(23)24/h3-4,7-8,14H,5-6,9-10H2,1-2H3,(H,23,24).
What are the key properties of 2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid?
2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid has a molecular weight of 361.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).