N-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide

C13H19N3O3 — CID 112521730

IUPACN-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESCc1[nH]ncc1NC(=O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H19N3O3/c1-9-11(8-14-16-9)15-12(17)10-2-4-13(5-3-10)18-6-7-19-13/h8,10H,2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyANKMRPGJKIXOPP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.59
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide

N-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide (PubChem CID 112521730) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
PubChem CID112521730
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESCc1[nH]ncc1NC(=O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C13H19N3O3/c1-9-11(8-14-16-9)15-12(17)10-2-4-13(5-3-10)18-6-7-19-13/h8,10H,2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyANKMRPGJKIXOPP-UHFFFAOYSA-N
XLogP1.59
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112520650
N-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112524400
N-(5-methyl-1H-pyrazol-4-yl)piperidine-2-carboxamide
CID 110837895
N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112525319
N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112524042
(2R)-2-[(5-methyl-1H-pyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 155225300
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 78975186
1,1-dimethyl-3-(5-methyl-1H-pyrazol-4-yl)urea
CID 20784611
2-methyl-N-(5-methyl-1H-pyrazol-4-yl)propanamide
CID 130719724
N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112523910
N-(1-methyl-2,3-dihydroindol-5-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112523463
N-(4-ethyl-1H-pyrazol-5-yl)oxane-4-carboxamide
CID 115680700

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide (CID 112521730) is N-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide is Cc1[nH]ncc1NC(=O)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The InChIKey is ANKMRPGJKIXOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-11(8-14-16-9)15-12(17)10-2-4-13(5-3-10)18-6-7-19-13/h8,10H,2-7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
N-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 112521730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).