4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid

C12H18N4O4 — CID 66267502

IUPAC4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCCn1cccn1)C1COCC1C(=O)O
InChIInChI=1S/C12H18N4O4/c1-15(10-8-20-7-9(10)11(17)18)12(19)13-4-6-16-5-2-3-14-16/h2-3,5,9-10H,4,6-8H2,1H3,(H,13,19)(H,17,18)
InChIKeyPNBGCVBWVGJPCZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.38
Rot. Bonds5

About 4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid

4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66267502) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
PubChem CID66267502
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)NCCn1cccn1)C1COCC1C(=O)O
InChIInChI=1S/C12H18N4O4/c1-15(10-8-20-7-9(10)11(17)18)12(19)13-4-6-16-5-2-3-14-16/h2-3,5,9-10H,4,6-8H2,1H3,(H,13,19)(H,17,18)
InChIKeyPNBGCVBWVGJPCZ-UHFFFAOYSA-N
XLogP-0.38
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246127
4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266922
4-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266134
4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266133
4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66265735
4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712
4-[3-cyclopentylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 106005375
1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
CID 115629319
2-(2-pyrazol-1-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978578
2-methyl-2-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]propanoic acid
CID 62821667
cis-(1R,2S)-2-(2-pyrazol-1-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 39854491
4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid
CID 66237147

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid (CID 66267502) is 4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid is CN(C(=O)NCCn1cccn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is PNBGCVBWVGJPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-15(10-8-20-7-9(10)11(17)18)12(19)13-4-6-16-5-2-3-14-16/h2-3,5,9-10H,4,6-8H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid?
4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66267502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).