4,5-dihydro-1H-benzo[g]indazole

C11H10N2 — CID 3398588

IUPAC4,5-dihydro-1H-benzo[g]indazole
SMILESc1ccc2c(c1)CCc1cn[nH]c1-2
InChIInChI=1S/C11H10N2/c1-2-4-10-8(3-1)5-6-9-7-12-13-11(9)10/h1-4,7H,5-6H2,(H,12,13)
InChIKeyIJZPDJZOELSEKV-UHFFFAOYSA-N
MW170.22 g/mol
LogP2.18
Rot. Bonds

About 4,5-dihydro-1H-benzo[g]indazole

4,5-dihydro-1H-benzo[g]indazole (PubChem CID 3398588) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 4,5-dihydro-1H-benzo[g]indazole.

Molecular Properties

Compound Name4,5-dihydro-1H-benzo[g]indazole
PubChem CID3398588
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name4,5-dihydro-1H-benzo[g]indazole
SMILESc1ccc2c(c1)CCc1cn[nH]c1-2
InChIInChI=1S/C11H10N2/c1-2-4-10-8(3-1)5-6-9-7-12-13-11(9)10/h1-4,7H,5-6H2,(H,12,13)
InChIKeyIJZPDJZOELSEKV-UHFFFAOYSA-N
XLogP2.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 17155
3-Methyl-4-phenylpyrazol
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5-benzhydryl-1H-pyrazole
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2,4-Dihydroindeno(1,2-C)pyrazole
CID 3392643
7-Methyl-1H-indazole
CID 820797
4-Methyl-1H-indazole
CID 820806
3-(naphthalen-1-yl)-1H-pyrazole
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4-Methyl-3-phenyl-1H-pyrazole
CID 283921
2-[4-(3-Methyl-1H-pyrazol-4-YL)phenyl]ethanamine
CID 16122634
5-(4-methylphenyl)-1H-pyrazole
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4-(4-Fluorophenyl)-3-Methyl-1h-Pyrazole
CID 67563593

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-benzo[g]indazole?
The IUPAC name of 4,5-dihydro-1H-benzo[g]indazole (CID 3398588) is 4,5-dihydro-1H-benzo[g]indazole.
What is the SMILES notation for 4,5-dihydro-1H-benzo[g]indazole?
The canonical SMILES for 4,5-dihydro-1H-benzo[g]indazole is c1ccc2c(c1)CCc1cn[nH]c1-2.
What is the InChIKey of 4,5-dihydro-1H-benzo[g]indazole?
The InChIKey is IJZPDJZOELSEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-4-10-8(3-1)5-6-9-7-12-13-11(9)10/h1-4,7H,5-6H2,(H,12,13).
What are the key properties of 4,5-dihydro-1H-benzo[g]indazole?
4,5-dihydro-1H-benzo[g]indazole has a molecular weight of 170.22 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-benzo[g]indazole is sourced from PubChem (CID 3398588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).