1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one

C9H14N4O — CID 84665518

IUPAC1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1Cc2[nH]nc(N)c2C1
InChIInChI=1S/C9H14N4O/c1-5(2)9(14)13-3-6-7(4-13)11-12-8(6)10/h5H,3-4H2,1-2H3,(H3,10,11,12)
InChIKeyZZZPRNDDWYCQGB-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.49
Rot. Bonds1

About 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one

1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one (PubChem CID 84665518) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one
PubChem CID84665518
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1Cc2[nH]nc(N)c2C1
InChIInChI=1S/C9H14N4O/c1-5(2)9(14)13-3-6-7(4-13)11-12-8(6)10/h5H,3-4H2,1-2H3,(H3,10,11,12)
InChIKeyZZZPRNDDWYCQGB-UHFFFAOYSA-N
XLogP0.49
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one (CID 84665518) is 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one is CC(C)C(=O)N1Cc2[nH]nc(N)c2C1.
What is the InChIKey of 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one?
The InChIKey is ZZZPRNDDWYCQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-5(2)9(14)13-3-6-7(4-13)11-12-8(6)10/h5H,3-4H2,1-2H3,(H3,10,11,12).
What are the key properties of 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one?
1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one has a molecular weight of 194.24 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 84665518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).