3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide

C13H21N3O3 — CID 40925191

IUPAC3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
SMILESCCOc1nn(CC)cc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C13H21N3O3/c1-3-16-9-11(13(15-16)18-4-2)12(17)14-8-10-6-5-7-19-10/h9-10H,3-8H2,1-2H3,(H,14,17)/t10-/m0/s1
InChIKeyHIIKTVUJMZPVML-JTQLQIEISA-N
MW267.33 g/mol
LogP1.21
Rot. Bonds6

About 3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide

3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 40925191) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID40925191
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
SMILESCCOc1nn(CC)cc1C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C13H21N3O3/c1-3-16-9-11(13(15-16)18-4-2)12(17)14-8-10-6-5-7-19-10/h9-10H,3-8H2,1-2H3,(H,14,17)/t10-/m0/s1
InChIKeyHIIKTVUJMZPVML-JTQLQIEISA-N
XLogP1.21
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide 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-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide (CID 40925191) is 3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide is CCOc1nn(CC)cc1C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is HIIKTVUJMZPVML-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-16-9-11(13(15-16)18-4-2)12(17)14-8-10-6-5-7-19-10/h9-10H,3-8H2,1-2H3,(H,14,17)/t10-/m0/s1.
What are the key properties of 3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide?
3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 40925191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).