ethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate

C15H18N4O3 — CID 126482872

IUPACethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cccnc2)nc1N1CCOCC1
InChIInChI=1S/C15H18N4O3/c1-2-22-15(20)13-11-19(12-4-3-5-16-10-12)17-14(13)18-6-8-21-9-7-18/h3-5,10-11H,2,6-9H2,1H3
InChIKeyRRBKJNQFLSKZKP-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.28
Rot. Bonds4

About ethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate

ethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate (PubChem CID 126482872) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate
PubChem CID126482872
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Nameethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2cccnc2)nc1N1CCOCC1
InChIInChI=1S/C15H18N4O3/c1-2-22-15(20)13-11-19(12-4-3-5-16-10-12)17-14(13)18-6-8-21-9-7-18/h3-5,10-11H,2,6-9H2,1H3
InChIKeyRRBKJNQFLSKZKP-UHFFFAOYSA-N
XLogP1.28
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate 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 ethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate (CID 126482872) is ethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate is CCOC(=O)c1cn(-c2cccnc2)nc1N1CCOCC1.
What is the InChIKey of ethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate?
The InChIKey is RRBKJNQFLSKZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-2-22-15(20)13-11-19(12-4-3-5-16-10-12)17-14(13)18-6-8-21-9-7-18/h3-5,10-11H,2,6-9H2,1H3.
What are the key properties of ethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate?
ethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-morpholin-4-yl-1-pyridin-3-ylpyrazole-4-carboxylate is sourced from PubChem (CID 126482872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).