1-(5-amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one

C8H13N3O — CID 15112559

IUPAC1-(5-amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnn(C)c1N
InChIInChI=1S/C8H13N3O/c1-5(2)7(12)6-4-10-11(3)8(6)9/h4-5H,9H2,1-3H3
InChIKeyDIIYZOJQKPZPPP-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.84
Rot. Bonds2

About 1-(5-amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one

1-(5-amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one (PubChem CID 15112559) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one
PubChem CID15112559
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(5-amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnn(C)c1N
InChIInChI=1S/C8H13N3O/c1-5(2)7(12)6-4-10-11(3)8(6)9/h4-5H,9H2,1-3H3
InChIKeyDIIYZOJQKPZPPP-UHFFFAOYSA-N
XLogP0.84
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one (CID 15112559) is 1-(5-amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(5-amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(5-amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cnn(C)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one?
The InChIKey is DIIYZOJQKPZPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)7(12)6-4-10-11(3)8(6)9/h4-5H,9H2,1-3H3.
What are the key properties of 1-(5-amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one?
1-(5-amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one has a molecular weight of 167.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methylpyrazol-4-yl)-2-methylpropan-1-one is sourced from PubChem (CID 15112559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).