(2R)-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid

C27H24FN3O4 — CID 67969709

IUPAC(2R)-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
SMILESO=C(NC(Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)C(=O)O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C27H24FN3O4/c28-21-12-10-20(11-13-21)23-16-24(31-30-23)26(33)29-22(15-25(32)27(34)35)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,16,22,25,32H,14-15H2,(H,29,33)(H,30,31)(H,34,35)/t22?,25-/m1/s1
InChIKeyNIESJJWHVIJFNQ-NRWPOFLRSA-N
MW473.50 g/mol
LogP4.06
Rot. Bonds9

About (2R)-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid

(2R)-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid (PubChem CID 67969709) has the molecular formula C27H24FN3O4 and a molecular weight of 473.50 g/mol. Its IUPAC name is (2R)-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
PubChem CID67969709
Molecular FormulaC27H24FN3O4
Molecular Weight473.50 g/mol
Exact Mass473.18
IUPAC Name(2R)-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid
SMILESO=C(NC(Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)C(=O)O)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C27H24FN3O4/c28-21-12-10-20(11-13-21)23-16-24(31-30-23)26(33)29-22(15-25(32)27(34)35)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,16,22,25,32H,14-15H2,(H,29,33)(H,30,31)(H,34,35)/t22?,25-/m1/s1
InChIKeyNIESJJWHVIJFNQ-NRWPOFLRSA-N
XLogP4.06
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of (2R)-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid (CID 67969709) is (2R)-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for (2R)-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for (2R)-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid is O=C(NC(Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)C(=O)O)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of (2R)-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is NIESJJWHVIJFNQ-NRWPOFLRSA-N. The full InChI is InChI=1S/C27H24FN3O4/c28-21-12-10-20(11-13-21)23-16-24(31-30-23)26(33)29-22(15-25(32)27(34)35)14-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-13,16,22,25,32H,14-15H2,(H,29,33)(H,30,31)(H,34,35)/t22?,25-/m1/s1.
What are the key properties of (2R)-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid?
(2R)-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 473.50 g/mol, XLogP of 4.06, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]amino]-2-hydroxy-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 67969709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).