N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide

C13H19N3O2 — CID 77091991

IUPACN-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1COC2(CCCCC2)C1)c1cn[nH]c1
InChIInChI=1S/C13H19N3O2/c17-12(10-7-14-15-8-10)16-11-6-13(18-9-11)4-2-1-3-5-13/h7-8,11H,1-6,9H2,(H,14,15)(H,16,17)
InChIKeyTZVLUDHSPICKNC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.63
Rot. Bonds2

About N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide

N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide (PubChem CID 77091991) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide
PubChem CID77091991
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1COC2(CCCCC2)C1)c1cn[nH]c1
InChIInChI=1S/C13H19N3O2/c17-12(10-7-14-15-8-10)16-11-6-13(18-9-11)4-2-1-3-5-13/h7-8,11H,1-6,9H2,(H,14,15)(H,16,17)
InChIKeyTZVLUDHSPICKNC-UHFFFAOYSA-N
XLogP1.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide (CID 77091991) is N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide is O=C(NC1COC2(CCCCC2)C1)c1cn[nH]c1.
What is the InChIKey of N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is TZVLUDHSPICKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12(10-7-14-15-8-10)16-11-6-13(18-9-11)4-2-1-3-5-13/h7-8,11H,1-6,9H2,(H,14,15)(H,16,17).
What are the key properties of N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide?
N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.5]decan-3-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 77091991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).