3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]pentanoic acid

C15H25N3O3 — CID 81065511

IUPAC3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CCc1c(C)nn(C)c1C)CC(=O)O
InChIInChI=1S/C15H25N3O3/c1-5-12(8-15(20)21)9-16-14(19)7-6-13-10(2)17-18(4)11(13)3/h12H,5-9H2,1-4H3,(H,16,19)(H,20,21)
InChIKeyAYRCJFRMXWUANJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.59
Rot. Bonds8

About 3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]pentanoic acid

3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]pentanoic acid (PubChem CID 81065511) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]pentanoic acid
PubChem CID81065511
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CCc1c(C)nn(C)c1C)CC(=O)O
InChIInChI=1S/C15H25N3O3/c1-5-12(8-15(20)21)9-16-14(19)7-6-13-10(2)17-18(4)11(13)3/h12H,5-9H2,1-4H3,(H,16,19)(H,20,21)
InChIKeyAYRCJFRMXWUANJ-UHFFFAOYSA-N
XLogP1.59
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]pentanoic acid?
The IUPAC name of 3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]pentanoic acid (CID 81065511) is 3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]pentanoic acid?
The canonical SMILES for 3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]pentanoic acid is CCC(CNC(=O)CCc1c(C)nn(C)c1C)CC(=O)O.
What is the InChIKey of 3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]pentanoic acid?
The InChIKey is AYRCJFRMXWUANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-5-12(8-15(20)21)9-16-14(19)7-6-13-10(2)17-18(4)11(13)3/h12H,5-9H2,1-4H3,(H,16,19)(H,20,21).
What are the key properties of 3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]pentanoic acid?
3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]pentanoic acid has a molecular weight of 295.38 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]methyl]pentanoic acid is sourced from PubChem (CID 81065511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).