4-amino-5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one

C10H19N3O — CID 103995076

IUPAC4-amino-5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)Cc1[nH]n(C(C)C)c(=O)c1N
InChIInChI=1S/C10H19N3O/c1-6(2)5-8-9(11)10(14)13(12-8)7(3)4/h6-7,12H,5,11H2,1-4H3
InChIKeyUBHMXZKGQOQGCY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.54
Rot. Bonds3

About 4-amino-5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one

4-amino-5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one (PubChem CID 103995076) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-amino-5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one
PubChem CID103995076
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-amino-5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one
SMILESCC(C)Cc1[nH]n(C(C)C)c(=O)c1N
InChIInChI=1S/C10H19N3O/c1-6(2)5-8-9(11)10(14)13(12-8)7(3)4/h6-7,12H,5,11H2,1-4H3
InChIKeyUBHMXZKGQOQGCY-UHFFFAOYSA-N
XLogP1.54
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one (CID 103995076) is 4-amino-5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one is CC(C)Cc1[nH]n(C(C)C)c(=O)c1N.
What is the InChIKey of 4-amino-5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one?
The InChIKey is UBHMXZKGQOQGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-6(2)5-8-9(11)10(14)13(12-8)7(3)4/h6-7,12H,5,11H2,1-4H3.
What are the key properties of 4-amino-5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one?
4-amino-5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one has a molecular weight of 197.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-methylpropyl)-2-propan-2-yl-1H-pyrazol-3-one is sourced from PubChem (CID 103995076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).