2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid

C9H12N4O3 — CID 115288840

IUPAC2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid
SMILESCn1cc(C(C(=O)O)N2CCNC2=O)cn1
InChIInChI=1S/C9H12N4O3/c1-12-5-6(4-11-12)7(8(14)15)13-3-2-10-9(13)16/h4-5,7H,2-3H2,1H3,(H,10,16)(H,14,15)
InChIKeyZQOMSZVLZHLRFZ-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.43
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid

2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid (PubChem CID 115288840) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid
PubChem CID115288840
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid
SMILESCn1cc(C(C(=O)O)N2CCNC2=O)cn1
InChIInChI=1S/C9H12N4O3/c1-12-5-6(4-11-12)7(8(14)15)13-3-2-10-9(13)16/h4-5,7H,2-3H2,1H3,(H,10,16)(H,14,15)
InChIKeyZQOMSZVLZHLRFZ-UHFFFAOYSA-N
XLogP-0.43
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-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

Related Compounds

2-(1,1-dioxothiazinan-2-yl)-2-(1-methylpyrazol-4-yl)acetic acid
CID 116814510
2-(1,4-diazepan-1-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 54892267
2-(1-methylpyrazol-4-yl)-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetic acid
CID 115289423
2-(1-methylpyrazol-4-yl)pentanoic acid
CID 83042529
4-[2-amino-2-(1-methylpyrazol-4-yl)acetyl]-3-ethylpiperazin-2-one
CID 115290708
2-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]acetic acid
CID 115289250
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
2-(1,4-diazepane-1-carbonylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289155
2-(1-methylpyrazol-4-yl)-1-piperazin-1-ylbutan-1-one
CID 82510773
2-(tert-butylcarbamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288293
2-(1-methylpyrazol-4-yl)-2-[(2-methylpyrrolidine-3-carbonyl)amino]acetic acid
CID 115288676
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid (CID 115288840) is 2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid is Cn1cc(C(C(=O)O)N2CCNC2=O)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid?
The InChIKey is ZQOMSZVLZHLRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-12-5-6(4-11-12)7(8(14)15)13-3-2-10-9(13)16/h4-5,7H,2-3H2,1H3,(H,10,16)(H,14,15).
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid?
2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid has a molecular weight of 224.22 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-(2-oxoimidazolidin-1-yl)acetic acid is sourced from PubChem (CID 115288840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).