2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid

C19H17N3O3 — CID 19504136

IUPAC2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C19H17N3O3/c1-13(19(24)25)22-12-11-17(21-22)18(23)20-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,20,23)(H,24,25)
InChIKeyIAMHHXSEVXKFFR-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.45
Rot. Bonds5

About 2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid

2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19504136) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19504136
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C19H17N3O3/c1-13(19(24)25)22-12-11-17(21-22)18(23)20-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,20,23)(H,24,25)
InChIKeyIAMHHXSEVXKFFR-UHFFFAOYSA-N
XLogP3.45
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623442
2-[3-[(3-chloro-4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504057
2-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504039
2-[3-[[4-[(4-chloropyrazol-1-yl)methyl]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504401
2-[3-[[4-[2-(diethylamino)ethoxycarbonyl]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504125
1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19270816
2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504138
2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623448
2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623443
2-[3-[[4-[(3,4-diethoxyphenyl)methoxy]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504250
2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504084
2-[3-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504318

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid (CID 19504136) is 2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is IAMHHXSEVXKFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13(19(24)25)22-12-11-17(21-22)18(23)20-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,20,23)(H,24,25).
What are the key properties of 2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 335.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19504136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).