N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide

C15H23N3O3 — CID 71981927

IUPACN-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C15H23N3O3/c1-2-18-11-13(10-17-18)14(19)16-9-12-3-5-15(6-4-12)20-7-8-21-15/h10-12H,2-9H2,1H3,(H,16,19)
InChIKeyJRVCHWYBLBYICC-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.57
Rot. Bonds4

About N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide

N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide (PubChem CID 71981927) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide
PubChem CID71981927
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C15H23N3O3/c1-2-18-11-13(10-17-18)14(19)16-9-12-3-5-15(6-4-12)20-7-8-21-15/h10-12H,2-9H2,1H3,(H,16,19)
InChIKeyJRVCHWYBLBYICC-UHFFFAOYSA-N
XLogP1.57
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide (CID 71981927) is N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)NCC2CCC3(CC2)OCCO3)cn1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is JRVCHWYBLBYICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-18-11-13(10-17-18)14(19)16-9-12-3-5-15(6-4-12)20-7-8-21-15/h10-12H,2-9H2,1H3,(H,16,19).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide?
N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 71981927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).