2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid

C10H15N3O3 — CID 61294632

IUPAC2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1nn(C(C)C(N)=O)c(C)c1CC(=O)O
InChIInChI=1S/C10H15N3O3/c1-5-8(4-9(14)15)6(2)13(12-5)7(3)10(11)16/h7H,4H2,1-3H3,(H2,11,16)(H,14,15)
InChIKeyUWVAMFHHZPWUIZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.17
Rot. Bonds4

About 2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid

2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid (PubChem CID 61294632) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
PubChem CID61294632
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
SMILESCc1nn(C(C)C(N)=O)c(C)c1CC(=O)O
InChIInChI=1S/C10H15N3O3/c1-5-8(4-9(14)15)6(2)13(12-5)7(3)10(11)16/h7H,4H2,1-3H3,(H2,11,16)(H,14,15)
InChIKeyUWVAMFHHZPWUIZ-UHFFFAOYSA-N
XLogP0.17
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic 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 2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid (CID 61294632) is 2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid is Cc1nn(C(C)C(N)=O)c(C)c1CC(=O)O.
What is the InChIKey of 2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
The InChIKey is UWVAMFHHZPWUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-5-8(4-9(14)15)6(2)13(12-5)7(3)10(11)16/h7H,4H2,1-3H3,(H2,11,16)(H,14,15).
What are the key properties of 2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid?
2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 61294632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).