4-amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one

C8H15N3O — CID 43163631

IUPAC4-amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one
SMILESCC(C)c1c(N)c(=O)n(C)n1C
InChIInChI=1S/C8H15N3O/c1-5(2)7-6(9)8(12)11(4)10(7)3/h5H,9H2,1-4H3
InChIKeyRXPAVBOBZKLTHA-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.43
Rot. Bonds1

About 4-amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one

4-amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one (PubChem CID 43163631) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one
PubChem CID43163631
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one
SMILESCC(C)c1c(N)c(=O)n(C)n1C
InChIInChI=1S/C8H15N3O/c1-5(2)7-6(9)8(12)11(4)10(7)3/h5H,9H2,1-4H3
InChIKeyRXPAVBOBZKLTHA-UHFFFAOYSA-N
XLogP0.43
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one?
The IUPAC name of 4-amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one (CID 43163631) is 4-amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one.
What is the SMILES notation for 4-amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one?
The canonical SMILES for 4-amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one is CC(C)c1c(N)c(=O)n(C)n1C.
What is the InChIKey of 4-amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one?
The InChIKey is RXPAVBOBZKLTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-5(2)7-6(9)8(12)11(4)10(7)3/h5H,9H2,1-4H3.
What are the key properties of 4-amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one?
4-amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one has a molecular weight of 169.23 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-dimethyl-5-propan-2-ylpyrazol-3-one is sourced from PubChem (CID 43163631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).