oxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

C12H19N3O3 — CID 66125269

IUPACoxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OC1CCOCC1
InChIInChI=1S/C12H19N3O3/c1-3-15-11(10(13)8(2)14-15)12(16)18-9-4-6-17-7-5-9/h9H,3-7,13H2,1-2H3
InChIKeyBBWXWVMAUXWAMZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.13
Rot. Bonds3

About oxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

oxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (PubChem CID 66125269) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is oxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameoxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
PubChem CID66125269
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameoxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OC1CCOCC1
InChIInChI=1S/C12H19N3O3/c1-3-15-11(10(13)8(2)14-15)12(16)18-9-4-6-17-7-5-9/h9H,3-7,13H2,1-2H3
InChIKeyBBWXWVMAUXWAMZ-UHFFFAOYSA-N
XLogP1.13
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124109
oxan-4-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124690
(1,1-dioxothiolan-3-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125465
oxolan-3-yl 4-amino-1,3-dimethylpyrazole-5-carboxylate
CID 66124028
4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125657
[2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124701
(1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125280
4-amino-N-cyclobutyl-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66124672
4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66125408
oxan-4-yl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 79391033
4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66125071
4-amino-1-ethyl-3-methyl-N-(4-methylcyclohexyl)pyrazole-5-carboxamide
CID 66124433

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The IUPAC name of oxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (CID 66125269) is oxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.
What is the SMILES notation for oxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The canonical SMILES for oxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is CCn1nc(C)c(N)c1C(=O)OC1CCOCC1.
What is the InChIKey of oxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The InChIKey is BBWXWVMAUXWAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-15-11(10(13)8(2)14-15)12(16)18-9-4-6-17-7-5-9/h9H,3-7,13H2,1-2H3.
What are the key properties of oxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
oxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66125269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).