3,5-dihydro-2H-indazole

C7H8N2 — CID 91531332

IUPAC3,5-dihydro-2H-indazole
SMILESC1=CC2=NNCC2=CC1
InChIInChI=1S/C7H8N2/c1-2-4-7-6(3-1)5-8-9-7/h2-4,8H,1,5H2
InChIKeyGSARVVHCIWDYHB-UHFFFAOYSA-N
MW120.15 g/mol
LogP0.83
Rot. Bonds

About 3,5-dihydro-2H-indazole

3,5-dihydro-2H-indazole (PubChem CID 91531332) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3,5-dihydro-2H-indazole.

Molecular Properties

Compound Name3,5-dihydro-2H-indazole
PubChem CID91531332
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3,5-dihydro-2H-indazole
SMILESC1=CC2=NNCC2=CC1
InChIInChI=1S/C7H8N2/c1-2-4-7-6(3-1)5-8-9-7/h2-4,8H,1,5H2
InChIKeyGSARVVHCIWDYHB-UHFFFAOYSA-N
XLogP0.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 138534669
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CID 146429483
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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-indazole?
The IUPAC name of 3,5-dihydro-2H-indazole (CID 91531332) is 3,5-dihydro-2H-indazole.
What is the SMILES notation for 3,5-dihydro-2H-indazole?
The canonical SMILES for 3,5-dihydro-2H-indazole is C1=CC2=NNCC2=CC1.
What is the InChIKey of 3,5-dihydro-2H-indazole?
The InChIKey is GSARVVHCIWDYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-4-7-6(3-1)5-8-9-7/h2-4,8H,1,5H2.
What are the key properties of 3,5-dihydro-2H-indazole?
3,5-dihydro-2H-indazole has a molecular weight of 120.15 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-indazole is sourced from PubChem (CID 91531332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).