4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol

C12H19N3O — CID 83910595

IUPAC4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol
SMILESCn1nc2c(c1C1CC1)C(O)(CN)CCC2
InChIInChI=1S/C12H19N3O/c1-15-11(8-4-5-8)10-9(14-15)3-2-6-12(10,16)7-13/h8,16H,2-7,13H2,1H3
InChIKeyIBCIMKLXCDULNA-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.78
Rot. Bonds2

About 4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol

4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol (PubChem CID 83910595) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol
PubChem CID83910595
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol
SMILESCn1nc2c(c1C1CC1)C(O)(CN)CCC2
InChIInChI=1S/C12H19N3O/c1-15-11(8-4-5-8)10-9(14-15)3-2-6-12(10,16)7-13/h8,16H,2-7,13H2,1H3
InChIKeyIBCIMKLXCDULNA-UHFFFAOYSA-N
XLogP0.78
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6,6-trimethyl-3-propyl-5,7-dihydro-4H-indazol-4-ol
CID 57741463
2-(1-Methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol
CID 84665646
1-(1-Methyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol
CID 118971756
1-(1-Ethyl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol
CID 121291958
1-(1-Propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)cyclopropan-1-ol
CID 169616137
1,3-Dimethyl-4,5,6,7-tetrahydroindazol-4-ol
CID 66489378
1,3,6-Trimethyl-4,5,6,7-tetrahydroindazol-4-ol
CID 66489379
7-(1,3,5-Trimethylpyrazol-4-yl)bicyclo[4.1.0]heptan-7-ol
CID 79331791
6-(1,3,5-Trimethylpyrazol-4-yl)bicyclo[3.1.0]hexan-6-ol
CID 79332081
2-Propyl-1-(1,3,5-trimethylpyrazol-4-yl)cyclopropan-1-ol
CID 79333881
3-(Aminomethyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-ol
CID 82591177
3-(Aminomethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol
CID 82591178

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol?
The IUPAC name of 4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol (CID 83910595) is 4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol.
What is the SMILES notation for 4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol?
The canonical SMILES for 4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol is Cn1nc2c(c1C1CC1)C(O)(CN)CCC2.
What is the InChIKey of 4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol?
The InChIKey is IBCIMKLXCDULNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-11(8-4-5-8)10-9(14-15)3-2-6-12(10,16)7-13/h8,16H,2-7,13H2,1H3.
What are the key properties of 4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol?
4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol has a molecular weight of 221.30 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-cyclopropyl-2-methyl-6,7-dihydro-5H-indazol-4-ol is sourced from PubChem (CID 83910595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).