4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid

C12H19N3O3 — CID 79595785

IUPAC4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
SMILESCc1c(CN(C)C2COCC2C(=O)O)cnn1C
InChIInChI=1S/C12H19N3O3/c1-8-9(4-13-15(8)3)5-14(2)11-7-18-6-10(11)12(16)17/h4,10-11H,5-7H2,1-3H3,(H,16,17)
InChIKeyGNEUCBCOHOIVNY-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.26
Rot. Bonds4

About 4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid

4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 79595785) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
PubChem CID79595785
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
SMILESCc1c(CN(C)C2COCC2C(=O)O)cnn1C
InChIInChI=1S/C12H19N3O3/c1-8-9(4-13-15(8)3)5-14(2)11-7-18-6-10(11)12(16)17/h4,10-11H,5-7H2,1-3H3,(H,16,17)
InChIKeyGNEUCBCOHOIVNY-UHFFFAOYSA-N
XLogP0.26
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66237371
4-[(2,3-dimethylphenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66266113
4-[methyl-[(1-methylindazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66237404
4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66252239
4-[(2-bromophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237808
4-[(2-chlorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237823
4-[methyl(1,3-thiazol-5-ylmethyl)amino]oxolane-3-carboxylic acid
CID 112641436
4-[(2,4-difluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66235385
4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66246701
4-[(5-ethylthiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237650
4-[(5-carbamoyl-2-fluorophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236839
2-[carboxymethyl-[(1,5-dimethylpyrazol-4-yl)methyl]amino]acetic acid
CID 79596439

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid (CID 79595785) is 4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid is Cc1c(CN(C)C2COCC2C(=O)O)cnn1C.
What is the InChIKey of 4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is GNEUCBCOHOIVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-9(4-13-15(8)3)5-14(2)11-7-18-6-10(11)12(16)17/h4,10-11H,5-7H2,1-3H3,(H,16,17).
What are the key properties of 4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid?
4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79595785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).