4-amino-5-(methoxymethyl)-1,2-dipropylpyrazol-3-one

C11H21N3O2 — CID 62318251

IUPAC4-amino-5-(methoxymethyl)-1,2-dipropylpyrazol-3-one
SMILESCCCn1c(COC)c(N)c(=O)n1CCC
InChIInChI=1S/C11H21N3O2/c1-4-6-13-9(8-16-3)10(12)11(15)14(13)7-5-2/h4-8,12H2,1-3H3
InChIKeyNMLSZJLRZGMVMK-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.20
Rot. Bonds6

About 4-amino-5-(methoxymethyl)-1,2-dipropylpyrazol-3-one

4-amino-5-(methoxymethyl)-1,2-dipropylpyrazol-3-one (PubChem CID 62318251) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-amino-5-(methoxymethyl)-1,2-dipropylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-(methoxymethyl)-1,2-dipropylpyrazol-3-one
PubChem CID62318251
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-amino-5-(methoxymethyl)-1,2-dipropylpyrazol-3-one
SMILESCCCn1c(COC)c(N)c(=O)n1CCC
InChIInChI=1S/C11H21N3O2/c1-4-6-13-9(8-16-3)10(12)11(15)14(13)7-5-2/h4-8,12H2,1-3H3
InChIKeyNMLSZJLRZGMVMK-UHFFFAOYSA-N
XLogP1.20
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(methoxymethyl)-1,2-dipropylpyrazol-3-one?
The IUPAC name of 4-amino-5-(methoxymethyl)-1,2-dipropylpyrazol-3-one (CID 62318251) is 4-amino-5-(methoxymethyl)-1,2-dipropylpyrazol-3-one.
What is the SMILES notation for 4-amino-5-(methoxymethyl)-1,2-dipropylpyrazol-3-one?
The canonical SMILES for 4-amino-5-(methoxymethyl)-1,2-dipropylpyrazol-3-one is CCCn1c(COC)c(N)c(=O)n1CCC.
What is the InChIKey of 4-amino-5-(methoxymethyl)-1,2-dipropylpyrazol-3-one?
The InChIKey is NMLSZJLRZGMVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-6-13-9(8-16-3)10(12)11(15)14(13)7-5-2/h4-8,12H2,1-3H3.
What are the key properties of 4-amino-5-(methoxymethyl)-1,2-dipropylpyrazol-3-one?
4-amino-5-(methoxymethyl)-1,2-dipropylpyrazol-3-one has a molecular weight of 227.31 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(methoxymethyl)-1,2-dipropylpyrazol-3-one is sourced from PubChem (CID 62318251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).