4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid

C18H23N3O3 — CID 122111365

IUPAC4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid
SMILESCC(C(=O)NC(CCC(=O)O)Cc1ccccc1)c1ccnn1C
InChIInChI=1S/C18H23N3O3/c1-13(16-10-11-19-21(16)2)18(24)20-15(8-9-17(22)23)12-14-6-4-3-5-7-14/h3-7,10-11,13,15H,8-9,12H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyLPJPGICHYHVTPE-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.12
Rot. Bonds8

About 4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid

4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid (PubChem CID 122111365) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid
PubChem CID122111365
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid
SMILESCC(C(=O)NC(CCC(=O)O)Cc1ccccc1)c1ccnn1C
InChIInChI=1S/C18H23N3O3/c1-13(16-10-11-19-21(16)2)18(24)20-15(8-9-17(22)23)12-14-6-4-3-5-7-14/h3-7,10-11,13,15H,8-9,12H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyLPJPGICHYHVTPE-UHFFFAOYSA-N
XLogP2.12
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[2-(2-methylpyrazol-3-yl)propanoylamino]phenyl]propanoic acid
CID 122111322
4-[2-(4-methoxyphenyl)propanoylamino]-5-phenylpentanoic acid
CID 120546722
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120546823
4-[2-(3-chlorophenyl)propanoylamino]-5-phenylpentanoic acid
CID 120547125
4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122091996
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
CID 120547298
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
4-[(2-methylsulfanylacetyl)amino]-5-phenylpentanoic acid
CID 120546684
4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122016796
4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122008021

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid (CID 122111365) is 4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid is CC(C(=O)NC(CCC(=O)O)Cc1ccccc1)c1ccnn1C.
What is the InChIKey of 4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid?
The InChIKey is LPJPGICHYHVTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(16-10-11-19-21(16)2)18(24)20-15(8-9-17(22)23)12-14-6-4-3-5-7-14/h3-7,10-11,13,15H,8-9,12H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid?
4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid has a molecular weight of 329.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122111365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).