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

C10H19N3O2 — CID 62318986

IUPAC4-amino-1-ethyl-5-(methoxymethyl)-2-propan-2-ylpyrazol-3-one
SMILESCCn1c(COC)c(N)c(=O)n1C(C)C
InChIInChI=1S/C10H19N3O2/c1-5-12-8(6-15-4)9(11)10(14)13(12)7(2)3/h7H,5-6,11H2,1-4H3
InChIKeyLMLHLRIVVYCXCI-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.98
Rot. Bonds4

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

4-amino-1-ethyl-5-(methoxymethyl)-2-propan-2-ylpyrazol-3-one (PubChem CID 62318986) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-amino-1-ethyl-5-(methoxymethyl)-2-propan-2-ylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-1-ethyl-5-(methoxymethyl)-2-propan-2-ylpyrazol-3-one
PubChem CID62318986
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name4-amino-1-ethyl-5-(methoxymethyl)-2-propan-2-ylpyrazol-3-one
SMILESCCn1c(COC)c(N)c(=O)n1C(C)C
InChIInChI=1S/C10H19N3O2/c1-5-12-8(6-15-4)9(11)10(14)13(12)7(2)3/h7H,5-6,11H2,1-4H3
InChIKeyLMLHLRIVVYCXCI-UHFFFAOYSA-N
XLogP0.98
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-5-(methoxymethyl)-2-propan-2-ylpyrazol-3-one?
The IUPAC name of 4-amino-1-ethyl-5-(methoxymethyl)-2-propan-2-ylpyrazol-3-one (CID 62318986) is 4-amino-1-ethyl-5-(methoxymethyl)-2-propan-2-ylpyrazol-3-one.
What is the SMILES notation for 4-amino-1-ethyl-5-(methoxymethyl)-2-propan-2-ylpyrazol-3-one?
The canonical SMILES for 4-amino-1-ethyl-5-(methoxymethyl)-2-propan-2-ylpyrazol-3-one is CCn1c(COC)c(N)c(=O)n1C(C)C.
What is the InChIKey of 4-amino-1-ethyl-5-(methoxymethyl)-2-propan-2-ylpyrazol-3-one?
The InChIKey is LMLHLRIVVYCXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-5-12-8(6-15-4)9(11)10(14)13(12)7(2)3/h7H,5-6,11H2,1-4H3.
What are the key properties of 4-amino-1-ethyl-5-(methoxymethyl)-2-propan-2-ylpyrazol-3-one?
4-amino-1-ethyl-5-(methoxymethyl)-2-propan-2-ylpyrazol-3-one has a molecular weight of 213.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-5-(methoxymethyl)-2-propan-2-ylpyrazol-3-one is sourced from PubChem (CID 62318986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).