methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate

C11H15N3O5 — CID 47291922

IUPACmethyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)C2COCCO2)cn1
InChIInChI=1S/C11H15N3O5/c1-17-10(15)6-14-5-8(4-12-14)13-11(16)9-7-18-2-3-19-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,16)
InChIKeyUOOVHTJWEYBBET-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.59
Rot. Bonds4

About methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate

methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate (PubChem CID 47291922) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate
PubChem CID47291922
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Namemethyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)C2COCCO2)cn1
InChIInChI=1S/C11H15N3O5/c1-17-10(15)6-14-5-8(4-12-14)13-11(16)9-7-18-2-3-19-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,16)
InChIKeyUOOVHTJWEYBBET-UHFFFAOYSA-N
XLogP-0.59
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate
CID 93440590
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate
CID 54904175
methyl 2-[4-[[2-(thian-4-yl)acetyl]amino]pyrazol-1-yl]acetate
CID 80709747
2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 138002028
(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide
CID 175500710
N-phenyl-1,4-dioxane-2-carboxamide
CID 47176768
(2S)-N-phenyl-1,4-dioxane-2-carboxamide
CID 39885866
methyl 2-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]pyrazol-1-yl]acetate
CID 79166313
methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate
CID 61018002
methyl 2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetate
CID 54904242
(2R)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35593011

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate (CID 47291922) is methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate is COC(=O)Cn1cc(NC(=O)C2COCCO2)cn1.
What is the InChIKey of methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate?
The InChIKey is UOOVHTJWEYBBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-17-10(15)6-14-5-8(4-12-14)13-11(16)9-7-18-2-3-19-9/h4-5,9H,2-3,6-7H2,1H3,(H,13,16).
What are the key properties of methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate?
methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate has a molecular weight of 269.26 g/mol, XLogP of -0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate is sourced from PubChem (CID 47291922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).