5-(2-amino-2-methylpropyl)-4-methyl-1,2-dihydropyrazol-3-one

C8H15N3O — CID 83856967

IUPAC5-(2-amino-2-methylpropyl)-4-methyl-1,2-dihydropyrazol-3-one
SMILESCc1c(CC(C)(C)N)[nH][nH]c1=O
InChIInChI=1S/C8H15N3O/c1-5-6(4-8(2,3)9)10-11-7(5)12/h4,9H2,1-3H3,(H2,10,11,12)
InChIKeyAITZKEXEACFJKL-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.29
Rot. Bonds2

About 5-(2-amino-2-methylpropyl)-4-methyl-1,2-dihydropyrazol-3-one

5-(2-amino-2-methylpropyl)-4-methyl-1,2-dihydropyrazol-3-one (PubChem CID 83856967) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-(2-amino-2-methylpropyl)-4-methyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(2-amino-2-methylpropyl)-4-methyl-1,2-dihydropyrazol-3-one
PubChem CID83856967
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name5-(2-amino-2-methylpropyl)-4-methyl-1,2-dihydropyrazol-3-one
SMILESCc1c(CC(C)(C)N)[nH][nH]c1=O
InChIInChI=1S/C8H15N3O/c1-5-6(4-8(2,3)9)10-11-7(5)12/h4,9H2,1-3H3,(H2,10,11,12)
InChIKeyAITZKEXEACFJKL-UHFFFAOYSA-N
XLogP0.29
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-2-methylpropyl)-4-methyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(2-amino-2-methylpropyl)-4-methyl-1,2-dihydropyrazol-3-one (CID 83856967) is 5-(2-amino-2-methylpropyl)-4-methyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(2-amino-2-methylpropyl)-4-methyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(2-amino-2-methylpropyl)-4-methyl-1,2-dihydropyrazol-3-one is Cc1c(CC(C)(C)N)[nH][nH]c1=O.
What is the InChIKey of 5-(2-amino-2-methylpropyl)-4-methyl-1,2-dihydropyrazol-3-one?
The InChIKey is AITZKEXEACFJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5-6(4-8(2,3)9)10-11-7(5)12/h4,9H2,1-3H3,(H2,10,11,12).
What are the key properties of 5-(2-amino-2-methylpropyl)-4-methyl-1,2-dihydropyrazol-3-one?
5-(2-amino-2-methylpropyl)-4-methyl-1,2-dihydropyrazol-3-one has a molecular weight of 169.23 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-2-methylpropyl)-4-methyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 83856967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).