3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid

C15H25N3O3 — CID 83083998

IUPAC3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid
SMILESCn1cc(C(CC(=O)O)N2CCOCC2)c(C(C)(C)C)n1
InChIInChI=1S/C15H25N3O3/c1-15(2,3)14-11(10-17(4)16-14)12(9-13(19)20)18-5-7-21-8-6-18/h10,12H,5-9H2,1-4H3,(H,19,20)
InChIKeyDEPOGBMSGJIHTC-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.57
Rot. Bonds4

About 3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid

3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid (PubChem CID 83083998) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid
PubChem CID83083998
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid
SMILESCn1cc(C(CC(=O)O)N2CCOCC2)c(C(C)(C)C)n1
InChIInChI=1S/C15H25N3O3/c1-15(2,3)14-11(10-17(4)16-14)12(9-13(19)20)18-5-7-21-8-6-18/h10,12H,5-9H2,1-4H3,(H,19,20)
InChIKeyDEPOGBMSGJIHTC-UHFFFAOYSA-N
XLogP1.57
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid?
The IUPAC name of 3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid (CID 83083998) is 3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid?
The canonical SMILES for 3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid is Cn1cc(C(CC(=O)O)N2CCOCC2)c(C(C)(C)C)n1.
What is the InChIKey of 3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid?
The InChIKey is DEPOGBMSGJIHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-15(2,3)14-11(10-17(4)16-14)12(9-13(19)20)18-5-7-21-8-6-18/h10,12H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid?
3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid has a molecular weight of 295.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 83083998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).