1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine

C15H15N3S — CID 102942902

IUPAC1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1nn(-c2ccc3sccc3c2)c2c1CCCC2
InChIInChI=1S/C15H15N3S/c16-15-12-3-1-2-4-13(12)18(17-15)11-5-6-14-10(9-11)7-8-19-14/h5-9H,1-4H2,(H2,16,17)
InChIKeyUUSAHVPOEGJCPN-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.55
Rot. Bonds1

About 1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine

1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 102942902) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID102942902
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1nn(-c2ccc3sccc3c2)c2c1CCCC2
InChIInChI=1S/C15H15N3S/c16-15-12-3-1-2-4-13(12)18(17-15)11-5-6-14-10(9-11)7-8-19-14/h5-9H,1-4H2,(H2,16,17)
InChIKeyUUSAHVPOEGJCPN-UHFFFAOYSA-N
XLogP3.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-2-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 102942370
1-naphthalen-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 102942368
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-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine
CID 79508848
1-(3-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942792
1-(2-chloro-5-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 107532030
1-(2,4,6-trichlorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942490
1-(5-bromo-2-iodophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 114261534
1-quinolin-5-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 102942328

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine (CID 102942902) is 1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine is Nc1nn(-c2ccc3sccc3c2)c2c1CCCC2.
What is the InChIKey of 1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is UUSAHVPOEGJCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c16-15-12-3-1-2-4-13(12)18(17-15)11-5-6-14-10(9-11)7-8-19-14/h5-9H,1-4H2,(H2,16,17).
What are the key properties of 1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine?
1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 269.37 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 102942902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).