2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide

C14H21N3O2 — CID 122276388

IUPAC2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC23CCOCC3)n(C)n1
InChIInChI=1S/C14H21N3O2/c1-10-9-11(17(2)16-10)13(18)15-12-3-4-14(12)5-7-19-8-6-14/h9,12H,3-8H2,1-2H3,(H,15,18)
InChIKeyHPDCFQOMRUAUFQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.42
Rot. Bonds2

About 2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide

2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide (PubChem CID 122276388) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide
PubChem CID122276388
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC23CCOCC3)n(C)n1
InChIInChI=1S/C14H21N3O2/c1-10-9-11(17(2)16-10)13(18)15-12-3-4-14(12)5-7-19-8-6-14/h9,12H,3-8H2,1-2H3,(H,15,18)
InChIKeyHPDCFQOMRUAUFQ-UHFFFAOYSA-N
XLogP1.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide (CID 122276388) is 2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCC23CCOCC3)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide?
The InChIKey is HPDCFQOMRUAUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-9-11(17(2)16-10)13(18)15-12-3-4-14(12)5-7-19-8-6-14/h9,12H,3-8H2,1-2H3,(H,15,18).
What are the key properties of 2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide?
2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 122276388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).