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

C8H15N3O2 — CID 62319722

IUPAC4-amino-2-ethyl-5-(methoxymethyl)-1-methylpyrazol-3-one
SMILESCCn1c(=O)c(N)c(COC)n1C
InChIInChI=1S/C8H15N3O2/c1-4-11-8(12)7(9)6(5-13-3)10(11)2/h4-5,9H2,1-3H3
InChIKeySLAHHUINDCLTAQ-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.06
Rot. Bonds3

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

4-amino-2-ethyl-5-(methoxymethyl)-1-methylpyrazol-3-one (PubChem CID 62319722) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-amino-2-ethyl-5-(methoxymethyl)-1-methylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-ethyl-5-(methoxymethyl)-1-methylpyrazol-3-one
PubChem CID62319722
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name4-amino-2-ethyl-5-(methoxymethyl)-1-methylpyrazol-3-one
SMILESCCn1c(=O)c(N)c(COC)n1C
InChIInChI=1S/C8H15N3O2/c1-4-11-8(12)7(9)6(5-13-3)10(11)2/h4-5,9H2,1-3H3
InChIKeySLAHHUINDCLTAQ-UHFFFAOYSA-N
XLogP-0.06
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.06
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-methylpyrazol-3-one?
The IUPAC name of 4-amino-2-ethyl-5-(methoxymethyl)-1-methylpyrazol-3-one (CID 62319722) is 4-amino-2-ethyl-5-(methoxymethyl)-1-methylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-ethyl-5-(methoxymethyl)-1-methylpyrazol-3-one?
The canonical SMILES for 4-amino-2-ethyl-5-(methoxymethyl)-1-methylpyrazol-3-one is CCn1c(=O)c(N)c(COC)n1C.
What is the InChIKey of 4-amino-2-ethyl-5-(methoxymethyl)-1-methylpyrazol-3-one?
The InChIKey is SLAHHUINDCLTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-4-11-8(12)7(9)6(5-13-3)10(11)2/h4-5,9H2,1-3H3.
What are the key properties of 4-amino-2-ethyl-5-(methoxymethyl)-1-methylpyrazol-3-one?
4-amino-2-ethyl-5-(methoxymethyl)-1-methylpyrazol-3-one has a molecular weight of 185.23 g/mol, XLogP of -0.06, 3 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-methylpyrazol-3-one is sourced from PubChem (CID 62319722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).