5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid

C11H17N3O3 — CID 19620293

IUPAC5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
SMILESCc1c(CNC(=O)CCCC(=O)O)cnn1C
InChIInChI=1S/C11H17N3O3/c1-8-9(7-13-14(8)2)6-12-10(15)4-3-5-11(16)17/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyTUIORMSNBLEYNL-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.60
Rot. Bonds6

About 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid

5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid (PubChem CID 19620293) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
PubChem CID19620293
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
SMILESCc1c(CNC(=O)CCCC(=O)O)cnn1C
InChIInChI=1S/C11H17N3O3/c1-8-9(7-13-14(8)2)6-12-10(15)4-3-5-11(16)17/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyTUIORMSNBLEYNL-UHFFFAOYSA-N
XLogP0.60
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid (CID 19620293) is 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid is Cc1c(CNC(=O)CCCC(=O)O)cnn1C.
What is the InChIKey of 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid?
The InChIKey is TUIORMSNBLEYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-9(7-13-14(8)2)6-12-10(15)4-3-5-11(16)17/h7H,3-6H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid?
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 19620293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).