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

C12H23N3O2 — CID 62318622

IUPAC4-amino-2-butan-2-yl-5-(methoxymethyl)-1-propylpyrazol-3-one
SMILESCCCn1c(COC)c(N)c(=O)n1C(C)CC
InChIInChI=1S/C12H23N3O2/c1-5-7-14-10(8-17-4)11(13)12(16)15(14)9(3)6-2/h9H,5-8,13H2,1-4H3
InChIKeyFJSQOIZMANEXHM-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.76
Rot. Bonds6

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

4-amino-2-butan-2-yl-5-(methoxymethyl)-1-propylpyrazol-3-one (PubChem CID 62318622) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-amino-2-butan-2-yl-5-(methoxymethyl)-1-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-butan-2-yl-5-(methoxymethyl)-1-propylpyrazol-3-one
PubChem CID62318622
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-amino-2-butan-2-yl-5-(methoxymethyl)-1-propylpyrazol-3-one
SMILESCCCn1c(COC)c(N)c(=O)n1C(C)CC
InChIInChI=1S/C12H23N3O2/c1-5-7-14-10(8-17-4)11(13)12(16)15(14)9(3)6-2/h9H,5-8,13H2,1-4H3
InChIKeyFJSQOIZMANEXHM-UHFFFAOYSA-N
XLogP1.76
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butan-2-yl-5-(methoxymethyl)-1-propylpyrazol-3-one?
The IUPAC name of 4-amino-2-butan-2-yl-5-(methoxymethyl)-1-propylpyrazol-3-one (CID 62318622) is 4-amino-2-butan-2-yl-5-(methoxymethyl)-1-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-2-butan-2-yl-5-(methoxymethyl)-1-propylpyrazol-3-one?
The canonical SMILES for 4-amino-2-butan-2-yl-5-(methoxymethyl)-1-propylpyrazol-3-one is CCCn1c(COC)c(N)c(=O)n1C(C)CC.
What is the InChIKey of 4-amino-2-butan-2-yl-5-(methoxymethyl)-1-propylpyrazol-3-one?
The InChIKey is FJSQOIZMANEXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-7-14-10(8-17-4)11(13)12(16)15(14)9(3)6-2/h9H,5-8,13H2,1-4H3.
What are the key properties of 4-amino-2-butan-2-yl-5-(methoxymethyl)-1-propylpyrazol-3-one?
4-amino-2-butan-2-yl-5-(methoxymethyl)-1-propylpyrazol-3-one has a molecular weight of 241.33 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butan-2-yl-5-(methoxymethyl)-1-propylpyrazol-3-one is sourced from PubChem (CID 62318622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).