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

C11H17N3O — CID 118489230

IUPAC1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one
SMILESCCC(=O)N1Cc2[nH]nc(C(C)C)c2C1
InChIInChI=1S/C11H17N3O/c1-4-10(15)14-5-8-9(6-14)12-13-11(8)7(2)3/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyRHHXYZBSBCAPLN-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.79
Rot. Bonds2

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

1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one (PubChem CID 118489230) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one
PubChem CID118489230
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one
SMILESCCC(=O)N1Cc2[nH]nc(C(C)C)c2C1
InChIInChI=1S/C11H17N3O/c1-4-10(15)14-5-8-9(6-14)12-13-11(8)7(2)3/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyRHHXYZBSBCAPLN-UHFFFAOYSA-N
XLogP1.79
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one?
The IUPAC name of 1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one (CID 118489230) is 1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one?
The canonical SMILES for 1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one is CCC(=O)N1Cc2[nH]nc(C(C)C)c2C1.
What is the InChIKey of 1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one?
The InChIKey is RHHXYZBSBCAPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-4-10(15)14-5-8-9(6-14)12-13-11(8)7(2)3/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one?
1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one is sourced from PubChem (CID 118489230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).