4-amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one

C11H21N3O — CID 43163590

IUPAC4-amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one
SMILESCC(C)Cn1c(=O)c(N)c(C(C)C)n1C
InChIInChI=1S/C11H21N3O/c1-7(2)6-14-11(15)9(12)10(8(3)4)13(14)5/h7-8H,6,12H2,1-5H3
InChIKeyOZQXYJCGXPEQGW-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.55
Rot. Bonds3

About 4-amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one

4-amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one (PubChem CID 43163590) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one
PubChem CID43163590
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one
SMILESCC(C)Cn1c(=O)c(N)c(C(C)C)n1C
InChIInChI=1S/C11H21N3O/c1-7(2)6-14-11(15)9(12)10(8(3)4)13(14)5/h7-8H,6,12H2,1-5H3
InChIKeyOZQXYJCGXPEQGW-UHFFFAOYSA-N
XLogP1.55
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one?
The IUPAC name of 4-amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one (CID 43163590) is 4-amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one.
What is the SMILES notation for 4-amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one?
The canonical SMILES for 4-amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one is CC(C)Cn1c(=O)c(N)c(C(C)C)n1C.
What is the InChIKey of 4-amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one?
The InChIKey is OZQXYJCGXPEQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(2)6-14-11(15)9(12)10(8(3)4)13(14)5/h7-8H,6,12H2,1-5H3.
What are the key properties of 4-amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one?
4-amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one has a molecular weight of 211.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-2-(2-methylpropyl)-5-propan-2-ylpyrazol-3-one is sourced from PubChem (CID 43163590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).