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

C13H25N3O2 — CID 62318623

IUPAC4-amino-5-(methoxymethyl)-2-pentan-3-yl-1-propylpyrazol-3-one
SMILESCCCn1c(COC)c(N)c(=O)n1C(CC)CC
InChIInChI=1S/C13H25N3O2/c1-5-8-15-11(9-18-4)12(14)13(17)16(15)10(6-2)7-3/h10H,5-9,14H2,1-4H3
InChIKeyUFSYWORVAIJIKZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.15
Rot. Bonds7

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

4-amino-5-(methoxymethyl)-2-pentan-3-yl-1-propylpyrazol-3-one (PubChem CID 62318623) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1-propylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-(methoxymethyl)-2-pentan-3-yl-1-propylpyrazol-3-one
PubChem CID62318623
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name4-amino-5-(methoxymethyl)-2-pentan-3-yl-1-propylpyrazol-3-one
SMILESCCCn1c(COC)c(N)c(=O)n1C(CC)CC
InChIInChI=1S/C13H25N3O2/c1-5-8-15-11(9-18-4)12(14)13(17)16(15)10(6-2)7-3/h10H,5-9,14H2,1-4H3
InChIKeyUFSYWORVAIJIKZ-UHFFFAOYSA-N
XLogP2.15
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.15
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)-2-pentan-3-yl-1-propylpyrazol-3-one?
The IUPAC name of 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1-propylpyrazol-3-one (CID 62318623) is 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1-propylpyrazol-3-one.
What is the SMILES notation for 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1-propylpyrazol-3-one?
The canonical SMILES for 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1-propylpyrazol-3-one is CCCn1c(COC)c(N)c(=O)n1C(CC)CC.
What is the InChIKey of 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1-propylpyrazol-3-one?
The InChIKey is UFSYWORVAIJIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-8-15-11(9-18-4)12(14)13(17)16(15)10(6-2)7-3/h10H,5-9,14H2,1-4H3.
What are the key properties of 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1-propylpyrazol-3-one?
4-amino-5-(methoxymethyl)-2-pentan-3-yl-1-propylpyrazol-3-one has a molecular weight of 255.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1-propylpyrazol-3-one is sourced from PubChem (CID 62318623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).