4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid

C12H18N4O4 — CID 66240753

IUPAC4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(Cc1cnn(C)c1)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H18N4O4/c1-15(4-8-3-13-16(2)5-8)12(19)14-10-7-20-6-9(10)11(17)18/h3,5,9-10H,4,6-7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyYXADJSCVANNTFH-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.34
Rot. Bonds4

About 4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid

4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66240753) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66240753
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCN(Cc1cnn(C)c1)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H18N4O4/c1-15(4-8-3-13-16(2)5-8)12(19)14-10-7-20-6-9(10)11(17)18/h3,5,9-10H,4,6-7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyYXADJSCVANNTFH-UHFFFAOYSA-N
XLogP-0.34
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic 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

4-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238952
4-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238763
4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238951
2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 3361482
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 94030439
4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63784679
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
cis-(1R,3S)-2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114091934
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 81056904
3,3-dimethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]butanoic acid
CID 61439818
2-[methyl-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]acetic acid
CID 61440246
4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 104553066

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid (CID 66240753) is 4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid is CN(Cc1cnn(C)c1)C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is YXADJSCVANNTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-15(4-8-3-13-16(2)5-8)12(19)14-10-7-20-6-9(10)11(17)18/h3,5,9-10H,4,6-7H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid?
4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).