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

C11H19N3O — CID 83909373

IUPAC4-(aminomethyl)-3-propan-2-yl-1,5,6,7-tetrahydroindazol-4-ol
SMILESCC(C)c1n[nH]c2c1C(O)(CN)CCC2
InChIInChI=1S/C11H19N3O/c1-7(2)10-9-8(13-14-10)4-3-5-11(9,15)6-12/h7,15H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyMSRLUMYDTZUOFJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.02
Rot. Bonds2

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

4-(aminomethyl)-3-propan-2-yl-1,5,6,7-tetrahydroindazol-4-ol (PubChem CID 83909373) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(aminomethyl)-3-propan-2-yl-1,5,6,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-3-propan-2-yl-1,5,6,7-tetrahydroindazol-4-ol
PubChem CID83909373
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(aminomethyl)-3-propan-2-yl-1,5,6,7-tetrahydroindazol-4-ol
SMILESCC(C)c1n[nH]c2c1C(O)(CN)CCC2
InChIInChI=1S/C11H19N3O/c1-7(2)10-9-8(13-14-10)4-3-5-11(9,15)6-12/h7,15H,3-6,12H2,1-2H3,(H,13,14)
InChIKeyMSRLUMYDTZUOFJ-UHFFFAOYSA-N
XLogP1.02
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6,6-Dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol
CID 71032665
3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 13333938
3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 15192804
3,6,6-Trimethyl-2,4,5,7-tetrahydroindazol-4-ol
CID 19245291
3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-ol
CID 66489339
4-(1-Aminoethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 82408241
3-(aminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 82591214
3-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 83863575
3-(methylaminomethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 83863577
3-(2-Aminoethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
CID 83863611
3-(Aminomethyl)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
CID 83863614
4-(Aminomethyl)-1,5,6,7-tetrahydroindazol-4-ol
CID 83905567

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-propan-2-yl-1,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 4-(aminomethyl)-3-propan-2-yl-1,5,6,7-tetrahydroindazol-4-ol (CID 83909373) is 4-(aminomethyl)-3-propan-2-yl-1,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 4-(aminomethyl)-3-propan-2-yl-1,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 4-(aminomethyl)-3-propan-2-yl-1,5,6,7-tetrahydroindazol-4-ol is CC(C)c1n[nH]c2c1C(O)(CN)CCC2.
What is the InChIKey of 4-(aminomethyl)-3-propan-2-yl-1,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is MSRLUMYDTZUOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(2)10-9-8(13-14-10)4-3-5-11(9,15)6-12/h7,15H,3-6,12H2,1-2H3,(H,13,14).
What are the key properties of 4-(aminomethyl)-3-propan-2-yl-1,5,6,7-tetrahydroindazol-4-ol?
4-(aminomethyl)-3-propan-2-yl-1,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 209.29 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-propan-2-yl-1,5,6,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 83909373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).