2-(3-fluorophenyl)-2-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]propanoic acid

C18H15FN4O3 — CID 122704753

IUPAC2-(3-fluorophenyl)-2-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cc(-c2ccncc2)n[nH]1)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C18H15FN4O3/c1-18(17(25)26,12-3-2-4-13(19)9-12)21-16(24)15-10-14(22-23-15)11-5-7-20-8-6-11/h2-10H,1H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyJURUDZDFIMNPOC-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.34
Rot. Bonds5

About 2-(3-fluorophenyl)-2-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]propanoic acid

2-(3-fluorophenyl)-2-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]propanoic acid (PubChem CID 122704753) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]propanoic acid
PubChem CID122704753
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name2-(3-fluorophenyl)-2-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1cc(-c2ccncc2)n[nH]1)(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C18H15FN4O3/c1-18(17(25)26,12-3-2-4-13(19)9-12)21-16(24)15-10-14(22-23-15)11-5-7-20-8-6-11/h2-10H,1H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyJURUDZDFIMNPOC-UHFFFAOYSA-N
XLogP2.34
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-(3-fluorophenyl)-2-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]propanoic acid (CID 122704753) is 2-(3-fluorophenyl)-2-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-(3-fluorophenyl)-2-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]propanoic acid is CC(NC(=O)c1cc(-c2ccncc2)n[nH]1)(C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]propanoic acid?
The InChIKey is JURUDZDFIMNPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c1-18(17(25)26,12-3-2-4-13(19)9-12)21-16(24)15-10-14(22-23-15)11-5-7-20-8-6-11/h2-10H,1H3,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 2-(3-fluorophenyl)-2-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]propanoic acid?
2-(3-fluorophenyl)-2-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]propanoic acid has a molecular weight of 354.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 122704753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).