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

C14H15N3O2 — CID 102942361

IUPAC1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1nn(-c2ccc3c(c2)OCO3)c2c1CCCC2
InChIInChI=1S/C14H15N3O2/c15-14-10-3-1-2-4-11(10)17(16-14)9-5-6-12-13(7-9)19-8-18-12/h5-7H,1-4,8H2,(H2,15,16)
InChIKeyLWELAQOQJCSNRN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.06
Rot. Bonds1

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

1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 102942361) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID102942361
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1nn(-c2ccc3c(c2)OCO3)c2c1CCCC2
InChIInChI=1S/C14H15N3O2/c15-14-10-3-1-2-4-11(10)17(16-14)9-5-6-12-13(7-9)19-8-18-12/h5-7H,1-4,8H2,(H2,15,16)
InChIKeyLWELAQOQJCSNRN-UHFFFAOYSA-N
XLogP2.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-benzothiophen-5-yl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942902
1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine;hydrochloride
CID 122156936
1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 121004245
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16590207
1-(4-methyl-3-nitrophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-amine
CID 102942644
N-(1,3-benzodioxol-5-yl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46487658
1-(2-chloro-4-iodophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 107608587
1-(5-bromo-2-iodophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 114261534
1-(1,3-benzodioxol-5-yl)piperidine
CID 15712176
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(piperidin-1-ylmethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3368273

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine (CID 102942361) is 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine is Nc1nn(-c2ccc3c(c2)OCO3)c2c1CCCC2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is LWELAQOQJCSNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-14-10-3-1-2-4-11(10)17(16-14)9-5-6-12-13(7-9)19-8-18-12/h5-7H,1-4,8H2,(H2,15,16).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine?
1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 257.29 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 102942361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).