N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,4-dioxane-2-carboxamide

C10H15N3O3 — CID 115610223

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-1,4-dioxane-2-carboxamide
SMILESCc1[nH]nc(NC(=O)C2COCCO2)c1C
InChIInChI=1S/C10H15N3O3/c1-6-7(2)12-13-9(6)11-10(14)8-5-15-3-4-16-8/h8H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyLTYWSDGXOPCGLD-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.38
Rot. Bonds2

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,4-dioxane-2-carboxamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,4-dioxane-2-carboxamide (PubChem CID 115610223) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-1,4-dioxane-2-carboxamide
PubChem CID115610223
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-1,4-dioxane-2-carboxamide
SMILESCc1[nH]nc(NC(=O)C2COCCO2)c1C
InChIInChI=1S/C10H15N3O3/c1-6-7(2)12-13-9(6)11-10(14)8-5-15-3-4-16-8/h8H,3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyLTYWSDGXOPCGLD-UHFFFAOYSA-N
XLogP0.38
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,4-dioxane-2-carboxamide (CID 115610223) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,4-dioxane-2-carboxamide is Cc1[nH]nc(NC(=O)C2COCCO2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,4-dioxane-2-carboxamide?
The InChIKey is LTYWSDGXOPCGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6-7(2)12-13-9(6)11-10(14)8-5-15-3-4-16-8/h8H,3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,4-dioxane-2-carboxamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,4-dioxane-2-carboxamide has a molecular weight of 225.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 115610223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).