N-(3-ethoxyspiro[3.5]nonan-1-yl)-1,5-dimethylpyrazole-4-carboxamide

C17H27N3O2 — CID 71976786

IUPACN-(3-ethoxyspiro[3.5]nonan-1-yl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCCOC1CC(NC(=O)c2cnn(C)c2C)C12CCCCC2
InChIInChI=1S/C17H27N3O2/c1-4-22-15-10-14(17(15)8-6-5-7-9-17)19-16(21)13-11-18-20(3)12(13)2/h11,14-15H,4-10H2,1-3H3,(H,19,21)
InChIKeyJKJFYVLJHKZTHF-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.59
Rot. Bonds4

About N-(3-ethoxyspiro[3.5]nonan-1-yl)-1,5-dimethylpyrazole-4-carboxamide

N-(3-ethoxyspiro[3.5]nonan-1-yl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 71976786) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.5]nonan-1-yl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID71976786
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(3-ethoxyspiro[3.5]nonan-1-yl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCCOC1CC(NC(=O)c2cnn(C)c2C)C12CCCCC2
InChIInChI=1S/C17H27N3O2/c1-4-22-15-10-14(17(15)8-6-5-7-9-17)19-16(21)13-11-18-20(3)12(13)2/h11,14-15H,4-10H2,1-3H3,(H,19,21)
InChIKeyJKJFYVLJHKZTHF-UHFFFAOYSA-N
XLogP2.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-ethoxyspiro[3.5]nonan-1-yl)-1,5-dimethylpyrazole-4-carboxamide (CID 71976786) is N-(3-ethoxyspiro[3.5]nonan-1-yl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.5]nonan-1-yl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-ethoxyspiro[3.5]nonan-1-yl)-1,5-dimethylpyrazole-4-carboxamide is CCOC1CC(NC(=O)c2cnn(C)c2C)C12CCCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.5]nonan-1-yl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is JKJFYVLJHKZTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-22-15-10-14(17(15)8-6-5-7-9-17)19-16(21)13-11-18-20(3)12(13)2/h11,14-15H,4-10H2,1-3H3,(H,19,21).
What are the key properties of N-(3-ethoxyspiro[3.5]nonan-1-yl)-1,5-dimethylpyrazole-4-carboxamide?
N-(3-ethoxyspiro[3.5]nonan-1-yl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.5]nonan-1-yl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 71976786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).