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

C10H15N3O3 — CID 17026155

IUPAC5-[(1,5-dimethylpyrazol-4-yl)amino]-5-oxopentanoic acid
SMILESCc1c(NC(=O)CCCC(=O)O)cnn1C
InChIInChI=1S/C10H15N3O3/c1-7-8(6-11-13(7)2)12-9(14)4-3-5-10(15)16/h6H,3-5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyMYYOEECWDSJUHR-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.92
Rot. Bonds5

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

5-[(1,5-dimethylpyrazol-4-yl)amino]-5-oxopentanoic acid (PubChem CID 17026155) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-[(1,5-dimethylpyrazol-4-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1,5-dimethylpyrazol-4-yl)amino]-5-oxopentanoic acid
PubChem CID17026155
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-[(1,5-dimethylpyrazol-4-yl)amino]-5-oxopentanoic acid
SMILESCc1c(NC(=O)CCCC(=O)O)cnn1C
InChIInChI=1S/C10H15N3O3/c1-7-8(6-11-13(7)2)12-9(14)4-3-5-10(15)16/h6H,3-5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyMYYOEECWDSJUHR-UHFFFAOYSA-N
XLogP0.92
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,5-dimethylpyrazol-4-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1,5-dimethylpyrazol-4-yl)amino]-5-oxopentanoic acid (CID 17026155) is 5-[(1,5-dimethylpyrazol-4-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1,5-dimethylpyrazol-4-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1,5-dimethylpyrazol-4-yl)amino]-5-oxopentanoic acid is Cc1c(NC(=O)CCCC(=O)O)cnn1C.
What is the InChIKey of 5-[(1,5-dimethylpyrazol-4-yl)amino]-5-oxopentanoic acid?
The InChIKey is MYYOEECWDSJUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-8(6-11-13(7)2)12-9(14)4-3-5-10(15)16/h6H,3-5H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 5-[(1,5-dimethylpyrazol-4-yl)amino]-5-oxopentanoic acid?
5-[(1,5-dimethylpyrazol-4-yl)amino]-5-oxopentanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.92, 5 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)amino]-5-oxopentanoic acid is sourced from PubChem (CID 17026155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).