7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol

C9H14BrN3O — CID 83913323

IUPAC7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol
SMILESCn1nc(Br)c2c1C(O)(CN)CCC2
InChIInChI=1S/C9H14BrN3O/c1-13-7-6(8(10)12-13)3-2-4-9(7,14)5-11/h14H,2-5,11H2,1H3
InChIKeyMVZKZTSHNZIVSR-UHFFFAOYSA-N
MW260.13 g/mol
LogP0.67
Rot. Bonds1

About 7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol

7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol (PubChem CID 83913323) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol.

Molecular Properties

Compound Name7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol
PubChem CID83913323
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol
SMILESCn1nc(Br)c2c1C(O)(CN)CCC2
InChIInChI=1S/C9H14BrN3O/c1-13-7-6(8(10)12-13)3-2-4-9(7,14)5-11/h14H,2-5,11H2,1H3
InChIKeyMVZKZTSHNZIVSR-UHFFFAOYSA-N
XLogP0.67
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol 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

1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol
CID 90167982
3-(difluoromethyl)-1,7-dimethyl-5,6-dihydro-4H-indazol-7-ol
CID 90167985
1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol
CID 118357710
7-(aminomethyl)-1-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83906517
7-(aminomethyl)-2-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83906518
7-(Aminomethyl)-3-bromo-1,4,5,6-tetrahydroindazol-7-ol
CID 83912911
7-(aminomethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83913322
4-(aminomethyl)-3-bromo-2-methyl-6,7-dihydro-5H-indazol-4-ol
CID 83913324
7-(2-aminoethyl)-3-bromo-2-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83913801
7-(2-aminoethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol
CID 83913802

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol?
The IUPAC name of 7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol (CID 83913323) is 7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol.
What is the SMILES notation for 7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol?
The canonical SMILES for 7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol is Cn1nc(Br)c2c1C(O)(CN)CCC2.
What is the InChIKey of 7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol?
The InChIKey is MVZKZTSHNZIVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-13-7-6(8(10)12-13)3-2-4-9(7,14)5-11/h14H,2-5,11H2,1H3.
What are the key properties of 7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol?
7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol has a molecular weight of 260.13 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-3-bromo-1-methyl-5,6-dihydro-4H-indazol-7-ol is sourced from PubChem (CID 83913323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).