1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

C11H19N3O3 — CID 66116354

IUPAC1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OC(C)COC)c1N
InChIInChI=1S/C11H19N3O3/c1-5-8-9(12)10(14(3)13-8)11(15)17-7(2)6-16-4/h7H,5-6,12H2,1-4H3
InChIKeyPZLONARJSKULNN-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.76
Rot. Bonds5

About 1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate

1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (PubChem CID 66116354) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
PubChem CID66116354
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
SMILESCCc1nn(C)c(C(=O)OC(C)COC)c1N
InChIInChI=1S/C11H19N3O3/c1-5-8-9(12)10(14(3)13-8)11(15)17-7(2)6-16-4/h7H,5-6,12H2,1-4H3
InChIKeyPZLONARJSKULNN-UHFFFAOYSA-N
XLogP0.76
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The IUPAC name of 1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate (CID 66116354) is 1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for 1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The canonical SMILES for 1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is CCc1nn(C)c(C(=O)OC(C)COC)c1N.
What is the InChIKey of 1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
The InChIKey is PZLONARJSKULNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-5-8-9(12)10(14(3)13-8)11(15)17-7(2)6-16-4/h7H,5-6,12H2,1-4H3.
What are the key properties of 1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate?
1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66116354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).