4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid

C12H19N3O3 — CID 65197311

IUPAC4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid
SMILESCc1nn(C)cc1C(C)N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H19N3O3/c1-8-10(6-14(3)13-8)9(2)15-4-5-18-11(7-15)12(16)17/h6,9,11H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyJUQHKYFRBBVFPM-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.57
Rot. Bonds3

About 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid

4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid (PubChem CID 65197311) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid
PubChem CID65197311
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid
SMILESCc1nn(C)cc1C(C)N1CCOC(C(=O)O)C1
InChIInChI=1S/C12H19N3O3/c1-8-10(6-14(3)13-8)9(2)15-4-5-18-11(7-15)12(16)17/h6,9,11H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyJUQHKYFRBBVFPM-UHFFFAOYSA-N
XLogP0.57
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.57
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]morpholine-2-carboxylic acid?
The IUPAC name of 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid (CID 65197311) is 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid is Cc1nn(C)cc1C(C)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid?
The InChIKey is JUQHKYFRBBVFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-10(6-14(3)13-8)9(2)15-4-5-18-11(7-15)12(16)17/h6,9,11H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of 4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid?
4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 0.57, 3 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]morpholine-2-carboxylic acid is sourced from PubChem (CID 65197311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).