(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid

C19H17N3O3 — CID 97081236

IUPAC(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
SMILESO=C(NC[C@@H](C(=O)O)c1ccccc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H17N3O3/c23-18(15-7-9-16(10-8-15)22-12-4-11-21-22)20-13-17(19(24)25)14-5-2-1-3-6-14/h1-12,17H,13H2,(H,20,23)(H,24,25)/t17-/m1/s1
InChIKeyHRKFAIULKSANNA-QGZVFWFLSA-N
MW335.36 g/mol
LogP2.47
Rot. Bonds6

About (2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid

(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid (PubChem CID 97081236) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
PubChem CID97081236
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
SMILESO=C(NC[C@@H](C(=O)O)c1ccccc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C19H17N3O3/c23-18(15-7-9-16(10-8-15)22-12-4-11-21-22)20-13-17(19(24)25)14-5-2-1-3-6-14/h1-12,17H,13H2,(H,20,23)(H,24,25)/t17-/m1/s1
InChIKeyHRKFAIULKSANNA-QGZVFWFLSA-N
XLogP2.47
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-iodobenzoyl)amino]-2-phenylpropanoic acid
CID 62883684
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869
N-(2-phenylsulfanylethyl)-4-pyrazol-1-ylbenzamide
CID 9483024
2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120528817
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111119910
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 8938307
N-prop-2-ynyl-4-pyrazol-1-ylbenzamide
CID 30601389
4-pyrazol-1-yl-N-(pyridin-2-ylmethyl)benzamide
CID 40673388
2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921485
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 110889458
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 111115502

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid (CID 97081236) is (2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid is O=C(NC[C@@H](C(=O)O)c1ccccc1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of (2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid?
The InChIKey is HRKFAIULKSANNA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(15-7-9-16(10-8-15)22-12-4-11-21-22)20-13-17(19(24)25)14-5-2-1-3-6-14/h1-12,17H,13H2,(H,20,23)(H,24,25)/t17-/m1/s1.
What are the key properties of (2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid?
(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid has a molecular weight of 335.36 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 97081236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).