2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide

C13H13N3O2 — CID 151835323

IUPAC2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
SMILESNC(=O)c1c2n(n(-c3ccccc3)c1=O)CCC2
InChIInChI=1S/C13H13N3O2/c14-12(17)11-10-7-4-8-15(10)16(13(11)18)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,14,17)
InChIKeySFNIBGLWNHDRKN-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.68
Rot. Bonds2

About 2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide

2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide (PubChem CID 151835323) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
PubChem CID151835323
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide
SMILESNC(=O)c1c2n(n(-c3ccccc3)c1=O)CCC2
InChIInChI=1S/C13H13N3O2/c14-12(17)11-10-7-4-8-15(10)16(13(11)18)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,14,17)
InChIKeySFNIBGLWNHDRKN-UHFFFAOYSA-N
XLogP0.68
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
The IUPAC name of 2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide (CID 151835323) is 2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide.
What is the SMILES notation for 2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
The canonical SMILES for 2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide is NC(=O)c1c2n(n(-c3ccccc3)c1=O)CCC2.
What is the InChIKey of 2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
The InChIKey is SFNIBGLWNHDRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-12(17)11-10-7-4-8-15(10)16(13(11)18)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,14,17).
What are the key properties of 2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide?
2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxamide is sourced from PubChem (CID 151835323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).