7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole

C15H18N2 — CID 12686517

IUPAC7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole
SMILESCCc1cc2c(cc1CC)-c1[nH]ncc1CC2
InChIInChI=1S/C15H18N2/c1-3-10-7-12-5-6-13-9-16-17-15(13)14(12)8-11(10)4-2/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyRFTYQGPFGOCWPI-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.30
Rot. Bonds2

About 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole

7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole (PubChem CID 12686517) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole.

Molecular Properties

Compound Name7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole
PubChem CID12686517
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole
SMILESCCc1cc2c(cc1CC)-c1[nH]ncc1CC2
InChIInChI=1S/C15H18N2/c1-3-10-7-12-5-6-13-9-16-17-15(13)14(12)8-11(10)4-2/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyRFTYQGPFGOCWPI-UHFFFAOYSA-N
XLogP3.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-4-phenylpyrazol
CID 139601
7-Methyl-1H-indazole
CID 820797
3-(naphthalen-1-yl)-1H-pyrazole
CID 2737035
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
CID 2725023
4-phenyl-6-(trifluoromethyl)-1H-indazole
CID 71735205
6-methyl-5-(2-(trifluoromethyl)phenyl)-1H-indazole
CID 90645460
6-methyl-4-phenyl-1H-indazole
CID 127046306
[4-(5-methyl-1H-pyrazol-4-yl)phenyl]methanamine
CID 16658020
7-isopropyl-4-methyl-3-phenyl-4,5,6,7-tetrahydro-1H-indazole
CID 6544456
(6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
CID 10776394

Frequently Asked Questions

What is the IUPAC name of 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole?
The IUPAC name of 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole (CID 12686517) is 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole.
What is the SMILES notation for 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole?
The canonical SMILES for 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole is CCc1cc2c(cc1CC)-c1[nH]ncc1CC2.
What is the InChIKey of 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole?
The InChIKey is RFTYQGPFGOCWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-3-10-7-12-5-6-13-9-16-17-15(13)14(12)8-11(10)4-2/h7-9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole?
7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole has a molecular weight of 226.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole is sourced from PubChem (CID 12686517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).