2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid

C11H17N3O3 — CID 79172074

IUPAC2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid
SMILESCCN1CCOC(Cn2nccc2C(=O)O)C1
InChIInChI=1S/C11H17N3O3/c1-2-13-5-6-17-9(7-13)8-14-10(11(15)16)3-4-12-14/h3-4,9H,2,5-8H2,1H3,(H,15,16)
InChIKeyYREITOKETQZIBN-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.30
Rot. Bonds4

About 2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid

2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid (PubChem CID 79172074) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid
PubChem CID79172074
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid
SMILESCCN1CCOC(Cn2nccc2C(=O)O)C1
InChIInChI=1S/C11H17N3O3/c1-2-13-5-6-17-9(7-13)8-14-10(11(15)16)3-4-12-14/h3-4,9H,2,5-8H2,1H3,(H,15,16)
InChIKeyYREITOKETQZIBN-UHFFFAOYSA-N
XLogP0.30
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

4,5-dichloro-2-[(4-ethylmorpholin-2-yl)methyl]pyridazin-3-one
CID 114386480
3-[(4-ethylmorpholin-2-yl)methyl]benzotriazole-5-carboxylic acid
CID 114400330
2-[1-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 79172170
1-[(4-ethylmorpholin-2-yl)methyl]indole-3-carboxylic acid
CID 79175356
[1-[(4-ethylmorpholin-2-yl)methyl]triazol-4-yl]methanol
CID 79183183
5-(2-aminoethyl)-1-[(4-ethylmorpholin-2-yl)methyl]triazole-4-carboxylic acid
CID 103119379
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408
2-[(5,5-dimethyloxolan-2-yl)methyl]pyrazole-3-carboxylic acid
CID 116522339
3-[(4-ethylmorpholin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114400968
3-[(4-ethylmorpholin-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 114400969
1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one
CID 116618394
3-[(2S)-4-ethylmorpholin-2-yl]propanoic acid
CID 95426355

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid (CID 79172074) is 2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid is CCN1CCOC(Cn2nccc2C(=O)O)C1.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid?
The InChIKey is YREITOKETQZIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-13-5-6-17-9(7-13)8-14-10(11(15)16)3-4-12-14/h3-4,9H,2,5-8H2,1H3,(H,15,16).
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid?
2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 79172074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).