2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid

C16H18FN3O4 — CID 119189252

IUPAC2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C16H18FN3O4/c1-11-12(16(23)19(7-8-24-2)10-15(21)22)9-18-20(11)14-6-4-3-5-13(14)17/h3-6,9H,7-8,10H2,1-2H3,(H,21,22)
InChIKeyPWRVZSYNIPMCSB-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.49
Rot. Bonds7

About 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid

2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189252) has the molecular formula C16H18FN3O4 and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID119189252
Molecular FormulaC16H18FN3O4
Molecular Weight335.34 g/mol
Exact Mass335.13
IUPAC Name2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C16H18FN3O4/c1-11-12(16(23)19(7-8-24-2)10-15(21)22)9-18-20(11)14-6-4-3-5-13(14)17/h3-6,9H,7-8,10H2,1-2H3,(H,21,22)
InChIKeyPWRVZSYNIPMCSB-UHFFFAOYSA-N
XLogP1.49
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid (CID 119189252) is 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1cnn(-c2ccccc2F)c1C.
What is the InChIKey of 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is PWRVZSYNIPMCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4/c1-11-12(16(23)19(7-8-24-2)10-15(21)22)9-18-20(11)14-6-4-3-5-13(14)17/h3-6,9H,7-8,10H2,1-2H3,(H,21,22).
What are the key properties of 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid?
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 335.34 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).