1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone

C10H13N3O2 — CID 131643393

IUPAC1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CC2COCC2C1
InChIInChI=1S/C10H13N3O2/c14-10(9-1-2-11-12-9)13-3-7-5-15-6-8(7)4-13/h1-2,7-8H,3-6H2,(H,11,12)
InChIKeyAIICRUYGANPFQS-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.13
Rot. Bonds1

About 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone

1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone (PubChem CID 131643393) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone
PubChem CID131643393
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccn[nH]1)N1CC2COCC2C1
InChIInChI=1S/C10H13N3O2/c14-10(9-1-2-11-12-9)13-3-7-5-15-6-8(7)4-13/h1-2,7-8H,3-6H2,(H,11,12)
InChIKeyAIICRUYGANPFQS-UHFFFAOYSA-N
XLogP0.13
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone?
The IUPAC name of 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone (CID 131643393) is 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone?
The canonical SMILES for 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone is O=C(c1ccn[nH]1)N1CC2COCC2C1.
What is the InChIKey of 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone?
The InChIKey is AIICRUYGANPFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-10(9-1-2-11-12-9)13-3-7-5-15-6-8(7)4-13/h1-2,7-8H,3-6H2,(H,11,12).
What are the key properties of 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone?
1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone has a molecular weight of 207.23 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 131643393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).