5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide

C14H21N3O2 — CID 136567790

IUPAC5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NC2CCOC23CCCC3)n[nH]1
InChIInChI=1S/C14H21N3O2/c1-2-10-9-11(17-16-10)13(18)15-12-5-8-19-14(12)6-3-4-7-14/h9,12H,2-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyHIVHSKRMUNLQML-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.80
Rot. Bonds3

About 5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide

5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide (PubChem CID 136567790) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide
PubChem CID136567790
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NC2CCOC23CCCC3)n[nH]1
InChIInChI=1S/C14H21N3O2/c1-2-10-9-11(17-16-10)13(18)15-12-5-8-19-14(12)6-3-4-7-14/h9,12H,2-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyHIVHSKRMUNLQML-UHFFFAOYSA-N
XLogP1.80
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide (CID 136567790) is 5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NC2CCOC23CCCC3)n[nH]1.
What is the InChIKey of 5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is HIVHSKRMUNLQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-10-9-11(17-16-10)13(18)15-12-5-8-19-14(12)6-3-4-7-14/h9,12H,2-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide?
5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(1-oxaspiro[4.4]nonan-4-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 136567790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).