1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine

C17H17N3 — CID 102942370

IUPAC1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1nn(-c2ccc3ccccc3c2)c2c1CCCC2
InChIInChI=1S/C17H17N3/c18-17-15-7-3-4-8-16(15)20(19-17)14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,9-11H,3-4,7-8H2,(H2,18,19)
InChIKeyGDUYECPHGBAXEG-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.49
Rot. Bonds1

About 1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine

1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 102942370) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID102942370
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1nn(-c2ccc3ccccc3c2)c2c1CCCC2
InChIInChI=1S/C17H17N3/c18-17-15-7-3-4-8-16(15)20(19-17)14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,9-11H,3-4,7-8H2,(H2,18,19)
InChIKeyGDUYECPHGBAXEG-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 102942368
1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942902
1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28974030
1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942361
1-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-3-amine
CID 102942537
1-(4-bromo-3-iodophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 114261535
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
CID 122156936
1-(3-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942792
1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 102942644
1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942490
1-(2-chloro-4-iodophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 107608587
1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 107532030

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine (CID 102942370) is 1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine is Nc1nn(-c2ccc3ccccc3c2)c2c1CCCC2.
What is the InChIKey of 1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is GDUYECPHGBAXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-17-15-7-3-4-8-16(15)20(19-17)14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,9-11H,3-4,7-8H2,(H2,18,19).
What are the key properties of 1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine?
1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 263.34 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 102942370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).