4H-pyrrolo[1,2-b]pyrazole

C6H6N2 — CID 23521594

IUPAC4H-pyrrolo[1,2-b]pyrazole
SMILESC1=Cn2nccc2C1
InChIInChI=1S/C6H6N2/c1-2-6-3-4-7-8(6)5-1/h1,3-5H,2H2
InChIKeySROOOLKBHHGLSZ-UHFFFAOYSA-N
MW106.13 g/mol
LogP0.91
Rot. Bonds

About 4H-pyrrolo[1,2-b]pyrazole

4H-pyrrolo[1,2-b]pyrazole (PubChem CID 23521594) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is 4H-pyrrolo[1,2-b]pyrazole.

Molecular Properties

Compound Name4H-pyrrolo[1,2-b]pyrazole
PubChem CID23521594
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Name4H-pyrrolo[1,2-b]pyrazole
SMILESC1=Cn2nccc2C1
InChIInChI=1S/C6H6N2/c1-2-6-3-4-7-8(6)5-1/h1,3-5H,2H2
InChIKeySROOOLKBHHGLSZ-UHFFFAOYSA-N
XLogP0.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrrolo[1,2-b]pyrazole?
The IUPAC name of 4H-pyrrolo[1,2-b]pyrazole (CID 23521594) is 4H-pyrrolo[1,2-b]pyrazole.
What is the SMILES notation for 4H-pyrrolo[1,2-b]pyrazole?
The canonical SMILES for 4H-pyrrolo[1,2-b]pyrazole is C1=Cn2nccc2C1.
What is the InChIKey of 4H-pyrrolo[1,2-b]pyrazole?
The InChIKey is SROOOLKBHHGLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2/c1-2-6-3-4-7-8(6)5-1/h1,3-5H,2H2.
What are the key properties of 4H-pyrrolo[1,2-b]pyrazole?
4H-pyrrolo[1,2-b]pyrazole has a molecular weight of 106.13 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrrolo[1,2-b]pyrazole is sourced from PubChem (CID 23521594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).