cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone

C9H11N3O — CID 130872132

IUPACcyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone
SMILESO=C(C1CC1)N1Cc2cn[nH]c2C1
InChIInChI=1S/C9H11N3O/c13-9(6-1-2-6)12-4-7-3-10-11-8(7)5-12/h3,6H,1-2,4-5H2,(H,10,11)
InChIKeyGYDGNCBUEIMOMH-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.66
Rot. Bonds1

About cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone

cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone (PubChem CID 130872132) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone.

Molecular Properties

Compound Namecyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone
PubChem CID130872132
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Namecyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone
SMILESO=C(C1CC1)N1Cc2cn[nH]c2C1
InChIInChI=1S/C9H11N3O/c13-9(6-1-2-6)12-4-7-3-10-11-8(7)5-12/h3,6H,1-2,4-5H2,(H,10,11)
InChIKeyGYDGNCBUEIMOMH-UHFFFAOYSA-N
XLogP0.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone?
The IUPAC name of cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone (CID 130872132) is cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone.
What is the SMILES notation for cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone?
The canonical SMILES for cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone is O=C(C1CC1)N1Cc2cn[nH]c2C1.
What is the InChIKey of cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone?
The InChIKey is GYDGNCBUEIMOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c13-9(6-1-2-6)12-4-7-3-10-11-8(7)5-12/h3,6H,1-2,4-5H2,(H,10,11).
What are the key properties of cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone?
cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone has a molecular weight of 177.21 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 130872132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).