2-(2-fluorophenyl)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid

C19H18FN3O3 — CID 75400953

IUPAC2-(2-fluorophenyl)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid
SMILESCC1=NN(c2ccc(C(=O)NC(C(=O)O)c3ccccc3F)cc2)CC1
InChIInChI=1S/C19H18FN3O3/c1-12-10-11-23(22-12)14-8-6-13(7-9-14)18(24)21-17(19(25)26)15-4-2-3-5-16(15)20/h2-9,17H,10-11H2,1H3,(H,21,24)(H,25,26)
InChIKeyVGIPHNPHTANOOA-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.97
Rot. Bonds5

About 2-(2-fluorophenyl)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid

2-(2-fluorophenyl)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid (PubChem CID 75400953) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid
PubChem CID75400953
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-(2-fluorophenyl)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid
SMILESCC1=NN(c2ccc(C(=O)NC(C(=O)O)c3ccccc3F)cc2)CC1
InChIInChI=1S/C19H18FN3O3/c1-12-10-11-23(22-12)14-8-6-13(7-9-14)18(24)21-17(19(25)26)15-4-2-3-5-16(15)20/h2-9,17H,10-11H2,1H3,(H,21,24)(H,25,26)
InChIKeyVGIPHNPHTANOOA-UHFFFAOYSA-N
XLogP2.97
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid?
The IUPAC name of 2-(2-fluorophenyl)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid (CID 75400953) is 2-(2-fluorophenyl)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-(2-fluorophenyl)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid is CC1=NN(c2ccc(C(=O)NC(C(=O)O)c3ccccc3F)cc2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid?
The InChIKey is VGIPHNPHTANOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-12-10-11-23(22-12)14-8-6-13(7-9-14)18(24)21-17(19(25)26)15-4-2-3-5-16(15)20/h2-9,17H,10-11H2,1H3,(H,21,24)(H,25,26).
What are the key properties of 2-(2-fluorophenyl)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid?
2-(2-fluorophenyl)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid has a molecular weight of 355.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid is sourced from PubChem (CID 75400953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).