(6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid

C7H8N2O2 — CID 99164984

IUPAC(6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2ccnn21
InChIInChI=1S/C7H8N2O2/c10-7(11)6-2-1-5-3-4-8-9(5)6/h3-4,6H,1-2H2,(H,10,11)/t6-/m0/s1
InChIKeyKYIWIJNZZQIZJL-LURJTMIESA-N
MW152.15 g/mol
LogP0.46
Rot. Bonds1

About (6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid

(6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid (PubChem CID 99164984) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is (6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid.

Molecular Properties

Compound Name(6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid
PubChem CID99164984
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name(6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2ccnn21
InChIInChI=1S/C7H8N2O2/c10-7(11)6-2-1-5-3-4-8-9(5)6/h3-4,6H,1-2H2,(H,10,11)/t6-/m0/s1
InChIKeyKYIWIJNZZQIZJL-LURJTMIESA-N
XLogP0.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid?
The IUPAC name of (6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid (CID 99164984) is (6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid.
What is the SMILES notation for (6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid?
The canonical SMILES for (6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid is O=C(O)[C@@H]1CCc2ccnn21.
What is the InChIKey of (6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid?
The InChIKey is KYIWIJNZZQIZJL-LURJTMIESA-N. The full InChI is InChI=1S/C7H8N2O2/c10-7(11)6-2-1-5-3-4-8-9(5)6/h3-4,6H,1-2H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid?
(6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxylic acid is sourced from PubChem (CID 99164984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).