4-amino-2-ethyl-5-(methoxymethyl)-1-propylpyrazol-3-one

C10H19N3O2 — CID 62318250

IUPAC4-amino-2-ethyl-5-(methoxymethyl)-1-propylpyrazol-3-one
SMILESCCCn1c(COC)c(N)c(=O)n1CC
InChIInChI=1S/C10H19N3O2/c1-4-6-13-8(7-15-3)9(11)10(14)12(13)5-2/h4-7,11H2,1-3H3
InChIKeyRUZBEEVQDUGXKQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.81
Rot. Bonds5

About 4-amino-2-ethyl-5-(methoxymethyl)-1-propylpyrazol-3-one

4-amino-2-ethyl-5-(methoxymethyl)-1-propylpyrazol-3-one (PubChem CID 62318250) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-amino-2-ethyl-5-(methoxymethyl)-1-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-ethyl-5-(methoxymethyl)-1-propylpyrazol-3-one
PubChem CID62318250
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name4-amino-2-ethyl-5-(methoxymethyl)-1-propylpyrazol-3-one
SMILESCCCn1c(COC)c(N)c(=O)n1CC
InChIInChI=1S/C10H19N3O2/c1-4-6-13-8(7-15-3)9(11)10(14)12(13)5-2/h4-7,11H2,1-3H3
InChIKeyRUZBEEVQDUGXKQ-UHFFFAOYSA-N
XLogP0.81
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-5-(methoxymethyl)-1-propylpyrazol-3-one?
The IUPAC name of 4-amino-2-ethyl-5-(methoxymethyl)-1-propylpyrazol-3-one (CID 62318250) is 4-amino-2-ethyl-5-(methoxymethyl)-1-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-ethyl-5-(methoxymethyl)-1-propylpyrazol-3-one?
The canonical SMILES for 4-amino-2-ethyl-5-(methoxymethyl)-1-propylpyrazol-3-one is CCCn1c(COC)c(N)c(=O)n1CC.
What is the InChIKey of 4-amino-2-ethyl-5-(methoxymethyl)-1-propylpyrazol-3-one?
The InChIKey is RUZBEEVQDUGXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-6-13-8(7-15-3)9(11)10(14)12(13)5-2/h4-7,11H2,1-3H3.
What are the key properties of 4-amino-2-ethyl-5-(methoxymethyl)-1-propylpyrazol-3-one?
4-amino-2-ethyl-5-(methoxymethyl)-1-propylpyrazol-3-one has a molecular weight of 213.28 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-5-(methoxymethyl)-1-propylpyrazol-3-one is sourced from PubChem (CID 62318250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).