3-(aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol

C11H19N3O — CID 82591178

IUPAC3-(aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCC(C)n1nc(CN)c2c1CCCC2O
InChIInChI=1S/C11H19N3O/c1-7(2)14-9-4-3-5-10(15)11(9)8(6-12)13-14/h7,10,15H,3-6,12H2,1-2H3
InChIKeyRCWQPVQECGZITD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.29
Rot. Bonds2

About 3-(aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol

3-(aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol (PubChem CID 82591178) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol
PubChem CID82591178
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCC(C)n1nc(CN)c2c1CCCC2O
InChIInChI=1S/C11H19N3O/c1-7(2)14-9-4-3-5-10(15)11(9)8(6-12)13-14/h7,10,15H,3-6,12H2,1-2H3
InChIKeyRCWQPVQECGZITD-UHFFFAOYSA-N
XLogP1.29
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 13836898
3-(difluoromethyl)-7-fluoro-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
CID 90162164
3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol
CID 90167674
3-(difluoromethyl)-1-ethyl-7,7-difluoro-5,6-dihydro-4H-indazol-4-ol
CID 118357662
3-(difluoromethyl)-7,7-difluoro-1-propan-2-yl-5,6-dihydro-4H-indazol-4-ol
CID 129129794
4-[5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]-2,2-dimethylbutanenitrile
CID 168250415
4-[(4S)-5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]-2-methylbutanenitrile
CID 168250420
(4S)-5,5-difluoro-1-(oxan-2-yl)-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250423
5-fluoro-5-methyl-1-(4,4,4-trifluoro-3-hydroxybutyl)-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250424
4-[(4S)-5,5-difluoro-4-hydroxy-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-1-yl]-2,2-dimethylbutanenitrile
CID 168250425
(4S)-5,5-difluoro-3-(trifluoromethyl)-1-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-4H-indazol-4-ol
CID 168250428
(4S)-1-(2-cyclopropyl-2-fluoroethyl)-5,5-difluoro-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-4-ol
CID 168250443

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 3-(aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol (CID 82591178) is 3-(aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 3-(aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 3-(aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol is CC(C)n1nc(CN)c2c1CCCC2O.
What is the InChIKey of 3-(aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is RCWQPVQECGZITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(2)14-9-4-3-5-10(15)11(9)8(6-12)13-14/h7,10,15H,3-6,12H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol?
3-(aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 209.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 82591178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).