4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid

C12H17N3O4 — CID 114218928

IUPAC4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCc1cc(C(=O)N(C)C2COCC2C(=O)O)nn1C
InChIInChI=1S/C12H17N3O4/c1-7-4-9(13-15(7)3)11(16)14(2)10-6-19-5-8(10)12(17)18/h4,8,10H,5-6H2,1-3H3,(H,17,18)
InChIKeySSFOJRGMMGHDFT-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.10
Rot. Bonds3

About 4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid

4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 114218928) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID114218928
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCc1cc(C(=O)N(C)C2COCC2C(=O)O)nn1C
InChIInChI=1S/C12H17N3O4/c1-7-4-9(13-15(7)3)11(16)14(2)10-6-19-5-8(10)12(17)18/h4,8,10H,5-6H2,1-3H3,(H,17,18)
InChIKeySSFOJRGMMGHDFT-UHFFFAOYSA-N
XLogP-0.10
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66238377
4-[methyl-(1-methylimidazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 107971541
4-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66237371
4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236338
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 104669777
4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238171
4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 79595785
4-[(4-acetyl-1H-pyrrole-2-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236360
4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid
CID 66235943
4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66237142
4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 107959663
4-[methyl-[(2-methylpyrazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266134

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid (CID 114218928) is 4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid is Cc1cc(C(=O)N(C)C2COCC2C(=O)O)nn1C.
What is the InChIKey of 4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is SSFOJRGMMGHDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7-4-9(13-15(7)3)11(16)14(2)10-6-19-5-8(10)12(17)18/h4,8,10H,5-6H2,1-3H3,(H,17,18).
What are the key properties of 4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylpyrazole-3-carbonyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 114218928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).