1-(3-amino-1-propan-2-ylpyrazol-4-yl)ethanone

C8H13N3O — CID 51034229

IUPAC1-(3-amino-1-propan-2-ylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cn(C(C)C)nc1N
InChIInChI=1S/C8H13N3O/c1-5(2)11-4-7(6(3)12)8(9)10-11/h4-5H,1-3H3,(H2,9,10)
InChIKeyQZRHAYWDKWCREZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.25
Rot. Bonds2

About 1-(3-amino-1-propan-2-ylpyrazol-4-yl)ethanone

1-(3-amino-1-propan-2-ylpyrazol-4-yl)ethanone (PubChem CID 51034229) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(3-amino-1-propan-2-ylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-1-propan-2-ylpyrazol-4-yl)ethanone
PubChem CID51034229
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(3-amino-1-propan-2-ylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cn(C(C)C)nc1N
InChIInChI=1S/C8H13N3O/c1-5(2)11-4-7(6(3)12)8(9)10-11/h4-5H,1-3H3,(H2,9,10)
InChIKeyQZRHAYWDKWCREZ-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1-propan-2-ylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(3-amino-1-propan-2-ylpyrazol-4-yl)ethanone (CID 51034229) is 1-(3-amino-1-propan-2-ylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-amino-1-propan-2-ylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(3-amino-1-propan-2-ylpyrazol-4-yl)ethanone is CC(=O)c1cn(C(C)C)nc1N.
What is the InChIKey of 1-(3-amino-1-propan-2-ylpyrazol-4-yl)ethanone?
The InChIKey is QZRHAYWDKWCREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5(2)11-4-7(6(3)12)8(9)10-11/h4-5H,1-3H3,(H2,9,10).
What are the key properties of 1-(3-amino-1-propan-2-ylpyrazol-4-yl)ethanone?
1-(3-amino-1-propan-2-ylpyrazol-4-yl)ethanone has a molecular weight of 167.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1-propan-2-ylpyrazol-4-yl)ethanone is sourced from PubChem (CID 51034229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).