3-ethoxy-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

C13H21N3O3 — CID 16925384

IUPAC3-ethoxy-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCOc1nn(CC)cc1C(=O)NCC1CCCO1
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)
InChIKeyHIIKTVUJMZPVML-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.21
Rot. Bonds6

About 3-ethoxy-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

3-ethoxy-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 16925384) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-ethoxy-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethoxy-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID16925384
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-ethoxy-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCOc1nn(CC)cc1C(=O)NCC1CCCO1
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)
InChIKeyHIIKTVUJMZPVML-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-ethoxy-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide (CID 16925384) is 3-ethoxy-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-ethoxy-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-ethoxy-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is CCOc1nn(CC)cc1C(=O)NCC1CCCO1.
What is the InChIKey of 3-ethoxy-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is HIIKTVUJMZPVML-UHFFFAOYSA-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).
What are the key properties of 3-ethoxy-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide?
3-ethoxy-1-ethyl-N-(oxolan-2-ylmethyl)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-(oxolan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 16925384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).