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

C10H19N3O2 — CID 103995141

IUPAC4-amino-5-(methoxymethyl)-2-pentan-3-yl-1H-pyrazol-3-one
SMILESCCC(CC)n1[nH]c(COC)c(N)c1=O
InChIInChI=1S/C10H19N3O2/c1-4-7(5-2)13-10(14)9(11)8(12-13)6-15-3/h7,12H,4-6,11H2,1-3H3
InChIKeyZBTJQCDCHIDOTO-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.27
Rot. Bonds5

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

4-amino-5-(methoxymethyl)-2-pentan-3-yl-1H-pyrazol-3-one (PubChem CID 103995141) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-(methoxymethyl)-2-pentan-3-yl-1H-pyrazol-3-one
PubChem CID103995141
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name4-amino-5-(methoxymethyl)-2-pentan-3-yl-1H-pyrazol-3-one
SMILESCCC(CC)n1[nH]c(COC)c(N)c1=O
InChIInChI=1S/C10H19N3O2/c1-4-7(5-2)13-10(14)9(11)8(12-13)6-15-3/h7,12H,4-6,11H2,1-3H3
InChIKeyZBTJQCDCHIDOTO-UHFFFAOYSA-N
XLogP1.27
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1H-pyrazol-3-one (CID 103995141) is 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1H-pyrazol-3-one is CCC(CC)n1[nH]c(COC)c(N)c1=O.
What is the InChIKey of 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1H-pyrazol-3-one?
The InChIKey is ZBTJQCDCHIDOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-7(5-2)13-10(14)9(11)8(12-13)6-15-3/h7,12H,4-6,11H2,1-3H3.
What are the key properties of 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1H-pyrazol-3-one?
4-amino-5-(methoxymethyl)-2-pentan-3-yl-1H-pyrazol-3-one has a molecular weight of 213.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(methoxymethyl)-2-pentan-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 103995141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).