4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid

C15H25N3O3 — CID 66251564

IUPAC4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)c1cn(C)nc1C)C1COCC1C(=O)O
InChIInChI=1S/C15H25N3O3/c1-5-6-18(14-9-21-8-13(14)15(19)20)11(3)12-7-17(4)16-10(12)2/h7,11,13-14H,5-6,8-9H2,1-4H3,(H,19,20)
InChIKeyJJMQDNXTHHIING-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.60
Rot. Bonds6

About 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid

4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid (PubChem CID 66251564) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid
PubChem CID66251564
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)c1cn(C)nc1C)C1COCC1C(=O)O
InChIInChI=1S/C15H25N3O3/c1-5-6-18(14-9-21-8-13(14)15(19)20)11(3)12-7-17(4)16-10(12)2/h7,11,13-14H,5-6,8-9H2,1-4H3,(H,19,20)
InChIKeyJJMQDNXTHHIING-UHFFFAOYSA-N
XLogP1.60
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid (CID 66251564) is 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid is CCCN(C(C)c1cn(C)nc1C)C1COCC1C(=O)O.
What is the InChIKey of 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid?
The InChIKey is JJMQDNXTHHIING-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-5-6-18(14-9-21-8-13(14)15(19)20)11(3)12-7-17(4)16-10(12)2/h7,11,13-14H,5-6,8-9H2,1-4H3,(H,19,20).
What are the key properties of 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid?
4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66251564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).