N-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide

C10H15N3O3 — CID 47178760

IUPACN-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide
SMILESCc1cc(NC(=O)C2COCCO2)n(C)n1
InChIInChI=1S/C10H15N3O3/c1-7-5-9(13(2)12-7)11-10(14)8-6-15-3-4-16-8/h5,8H,3-4,6H2,1-2H3,(H,11,14)
InChIKeyIQTUCKWSHPFMLN-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.08
Rot. Bonds2

About N-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide

N-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide (PubChem CID 47178760) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide
PubChem CID47178760
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide
SMILESCc1cc(NC(=O)C2COCCO2)n(C)n1
InChIInChI=1S/C10H15N3O3/c1-7-5-9(13(2)12-7)11-10(14)8-6-15-3-4-16-8/h5,8H,3-4,6H2,1-2H3,(H,11,14)
InChIKeyIQTUCKWSHPFMLN-UHFFFAOYSA-N
XLogP0.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 45810934
N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]tetrahydrofuran-2-carboxamide
CID 50967434
2-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 53618525
2-ethoxy-N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135752908
N-(1,3-dimethyl-1H-pyrazol-5-yl)oxolane-2-carboxamide
CID 45147551
N-(1-butan-2-yl-5-methylpyrazol-3-yl)-2-ethoxypropanamide
CID 132304540
(2S,3S)-N-[2,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,4-dioxane-2-carboxamide
CID 136586285
(2S,3S)-N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-methyl-1,4-dioxane-2-carboxamide
CID 136586420
ethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate
CID 164631177
N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,4-dioxane-2-carboxamide
CID 138008990
(2S,3S)-3-methyl-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,4-dioxane-2-carboxamide
CID 138017659
2-[2-[(2,5-Dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
CID 2811788

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide (CID 47178760) is N-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide is Cc1cc(NC(=O)C2COCCO2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide?
The InChIKey is IQTUCKWSHPFMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7-5-9(13(2)12-7)11-10(14)8-6-15-3-4-16-8/h5,8H,3-4,6H2,1-2H3,(H,11,14).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide?
N-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide has a molecular weight of 225.25 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 47178760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).