N-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C11H15N3O3 — CID 45284658

IUPACN-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCn1nc(C)cc1NC(=O)C1=COCCO1
InChIInChI=1S/C11H15N3O3/c1-3-14-10(6-8(2)13-14)12-11(15)9-7-16-4-5-17-9/h6-7H,3-5H2,1-2H3,(H,12,15)
InChIKeyVDPWWCPOBKUAQC-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.04
Rot. Bonds3

About N-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 45284658) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID45284658
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCn1nc(C)cc1NC(=O)C1=COCCO1
InChIInChI=1S/C11H15N3O3/c1-3-14-10(6-8(2)13-14)12-11(15)9-7-16-4-5-17-9/h6-7H,3-5H2,1-2H3,(H,12,15)
InChIKeyVDPWWCPOBKUAQC-UHFFFAOYSA-N
XLogP1.04
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylmorpholin-4-yl)acetamide
CID 45810934
2-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 53618525
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-methoxyacetamide
CID 135753046
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-methoxyacetamide
CID 135551485
2-ethoxy-N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135752908
N-(1-butan-2-yl-5-methylpyrazol-3-yl)-2-ethoxypropanamide
CID 132304540
(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
Ethyl 2-[3-methyl-5-[(2,2,2-trifluoroacetyl)amino]pyrazol-1-yl]acetate
CID 178084687
Ethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate
CID 126832537
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

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 45284658) is N-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is CCn1nc(C)cc1NC(=O)C1=COCCO1.
What is the InChIKey of N-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is VDPWWCPOBKUAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-3-14-10(6-8(2)13-14)12-11(15)9-7-16-4-5-17-9/h6-7H,3-5H2,1-2H3,(H,12,15).
What are the key properties of N-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5-methylpyrazol-3-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 45284658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).