3-ethoxy-N,5-dimethylpyrazole-1-carboxamide

C8H13N3O2 — CID 12848007

IUPAC3-ethoxy-N,5-dimethylpyrazole-1-carboxamide
SMILESCCOc1cc(C)n(C(=O)NC)n1
InChIInChI=1S/C8H13N3O2/c1-4-13-7-5-6(2)11(10-7)8(12)9-3/h5H,4H2,1-3H3,(H,9,12)
InChIKeyGVZWNXQWMMURES-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.78
Rot. Bonds2

About 3-ethoxy-N,5-dimethylpyrazole-1-carboxamide

3-ethoxy-N,5-dimethylpyrazole-1-carboxamide (PubChem CID 12848007) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-ethoxy-N,5-dimethylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N,5-dimethylpyrazole-1-carboxamide
PubChem CID12848007
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-ethoxy-N,5-dimethylpyrazole-1-carboxamide
SMILESCCOc1cc(C)n(C(=O)NC)n1
InChIInChI=1S/C8H13N3O2/c1-4-13-7-5-6(2)11(10-7)8(12)9-3/h5H,4H2,1-3H3,(H,9,12)
InChIKeyGVZWNXQWMMURES-UHFFFAOYSA-N
XLogP0.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,5-dimethylpyrazole-1-carboxamide?
The IUPAC name of 3-ethoxy-N,5-dimethylpyrazole-1-carboxamide (CID 12848007) is 3-ethoxy-N,5-dimethylpyrazole-1-carboxamide.
What is the SMILES notation for 3-ethoxy-N,5-dimethylpyrazole-1-carboxamide?
The canonical SMILES for 3-ethoxy-N,5-dimethylpyrazole-1-carboxamide is CCOc1cc(C)n(C(=O)NC)n1.
What is the InChIKey of 3-ethoxy-N,5-dimethylpyrazole-1-carboxamide?
The InChIKey is GVZWNXQWMMURES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4-13-7-5-6(2)11(10-7)8(12)9-3/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of 3-ethoxy-N,5-dimethylpyrazole-1-carboxamide?
3-ethoxy-N,5-dimethylpyrazole-1-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,5-dimethylpyrazole-1-carboxamide is sourced from PubChem (CID 12848007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).