7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid

C14H23N3O3 — CID 43172056

IUPAC7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid
SMILESCc1n[nH]c(C)c1CC(=O)NCCCCCCC(=O)O
InChIInChI=1S/C14H23N3O3/c1-10-12(11(2)17-16-10)9-13(18)15-8-6-4-3-5-7-14(19)20/h3-9H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyLCFZOMOHDQFPDF-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.72
Rot. Bonds9

About 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid

7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid (PubChem CID 43172056) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid
PubChem CID43172056
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid
SMILESCc1n[nH]c(C)c1CC(=O)NCCCCCCC(=O)O
InChIInChI=1S/C14H23N3O3/c1-10-12(11(2)17-16-10)9-13(18)15-8-6-4-3-5-7-14(19)20/h3-9H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)
InChIKeyLCFZOMOHDQFPDF-UHFFFAOYSA-N
XLogP1.72
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid?
The IUPAC name of 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid (CID 43172056) is 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid?
The canonical SMILES for 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid is Cc1n[nH]c(C)c1CC(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid?
The InChIKey is LCFZOMOHDQFPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10-12(11(2)17-16-10)9-13(18)15-8-6-4-3-5-7-14(19)20/h3-9H2,1-2H3,(H,15,18)(H,16,17)(H,19,20).
What are the key properties of 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid?
7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.72, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]heptanoic acid is sourced from PubChem (CID 43172056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).