5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid

C24H25N3O5 — CID 122420570

IUPAC5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
SMILESC[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cc(C(=O)O)nn1C)C(=O)O
InChIInChI=1S/C24H25N3O5/c1-15(23(29)30)12-19(25-22(28)21-14-20(24(31)32)26-27(21)2)13-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13H2,1-2H3,(H,25,28)(H,29,30)(H,31,32)/t15-,19+/m1/s1
InChIKeyMNQLAKJAHVVYQD-BEFAXECRSA-N
MW435.48 g/mol
LogP3.24
Rot. Bonds9

About 5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid

5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid (PubChem CID 122420570) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
PubChem CID122420570
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
SMILESC[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cc(C(=O)O)nn1C)C(=O)O
InChIInChI=1S/C24H25N3O5/c1-15(23(29)30)12-19(25-22(28)21-14-20(24(31)32)26-27(21)2)13-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13H2,1-2H3,(H,25,28)(H,29,30)(H,31,32)/t15-,19+/m1/s1
InChIKeyMNQLAKJAHVVYQD-BEFAXECRSA-N
XLogP3.24
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid with MolForge

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Related Compounds

4-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-2-carboxylic acid
CID 59608318
2-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]pyridine-4-carboxylic acid
CID 59608101
3-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1H-pyrazole-5-carboxylic acid
CID 59608270
5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]thiophene-2-carboxylic acid
CID 59608190
(2R)-2-methyl-5-(4-phenylphenyl)-4-(pyrimidine-5-carbonylamino)pentanoic acid
CID 126724309
(2R,4S)-4-(1H-imidazole-2-carbonylamino)-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 59608323
(2R,4S)-2-methyl-5-(4-phenylphenyl)-4-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
CID 59608109
2-methyl-4-[(2-oxo-3H-1,3-thiazole-5-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid
CID 67505890
(2R,4S)-4-[(4-carbamoyl-2-oxo-1H-pyrimidine-6-carbonyl)amino]-2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 59608241
(2R,4S)-2-methyl-5-(4-phenylphenyl)-4-(pyridazine-4-carbonylamino)pentanoic acid
CID 59608201
3-(carboxymethoxy)-5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]benzoic acid
CID 59608166
(2R,4S)-2-methyl-4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]-5-(4-phenylphenyl)pentanoic acid
CID 135973209

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid (CID 122420570) is 5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid is C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cc(C(=O)O)nn1C)C(=O)O.
What is the InChIKey of 5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is MNQLAKJAHVVYQD-BEFAXECRSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-15(23(29)30)12-19(25-22(28)21-14-20(24(31)32)26-27(21)2)13-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,14-15,19H,12-13H2,1-2H3,(H,25,28)(H,29,30)(H,31,32)/t15-,19+/m1/s1.
What are the key properties of 5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid?
5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 435.48 g/mol, XLogP of 3.24, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 122420570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).