(4-amino-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-yl)methanol

C12H19N3O — CID 83910598

IUPAC(4-amino-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-yl)methanol
SMILESCn1nc(C2CC2)c2c1CCCC2(N)CO
InChIInChI=1S/C12H19N3O/c1-15-9-3-2-6-12(13,7-16)10(9)11(14-15)8-4-5-8/h8,16H,2-7,13H2,1H3
InChIKeyDTNXXKFYMDQTDM-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.78
Rot. Bonds2

About (4-amino-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-yl)methanol

(4-amino-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-yl)methanol (PubChem CID 83910598) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (4-amino-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-yl)methanol.

Molecular Properties

Compound Name(4-amino-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-yl)methanol
PubChem CID83910598
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(4-amino-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-yl)methanol
SMILESCn1nc(C2CC2)c2c1CCCC2(N)CO
InChIInChI=1S/C12H19N3O/c1-15-9-3-2-6-12(13,7-16)10(9)11(14-15)8-4-5-8/h8,16H,2-7,13H2,1H3
InChIKeyDTNXXKFYMDQTDM-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

(4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol
CID 105451483
(1-ethyl-4-fluoro-4-methyl-6,7-dihydro-5H-indazol-3-yl)methanol
CID 105465990
(1-methyl-4,5,6,7-tetrahydro-1H-4,7-ethanoindazol-3-yl)methanol
CID 58521583
(1,6,6-trimethyl-5,7-dihydro-4H-indazol-3-yl)methanol
CID 68792130
2-(3-Cyclopropyl-1,5-dimethylpyrazol-4-yl)ethanol
CID 90385607
1,3-Diethyl-4,5,6,7-tetrahydroindazol-5-ol
CID 118578654
2-(3-Cyclopropyl-1-ethyl-5-methylpyrazol-4-yl)ethanol
CID 121292128
2-[1,5-Dimethyl-3-(2-methylpropyl)pyrazol-4-yl]ethanol
CID 124172412
2-(3-Cyclopropyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethanol
CID 141028876
2-[1,3-Dimethyl-5-(2-methylpropyl)pyrazol-4-yl]ethanol
CID 145754831
(5-Tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol
CID 12933207
2-[4-(2-Aminoethyl)-3-cyclopropyl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 82592852

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-yl)methanol?
The IUPAC name of (4-amino-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-yl)methanol (CID 83910598) is (4-amino-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-yl)methanol.
What is the SMILES notation for (4-amino-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-yl)methanol?
The canonical SMILES for (4-amino-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-yl)methanol is Cn1nc(C2CC2)c2c1CCCC2(N)CO.
What is the InChIKey of (4-amino-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-yl)methanol?
The InChIKey is DTNXXKFYMDQTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-9-3-2-6-12(13,7-16)10(9)11(14-15)8-4-5-8/h8,16H,2-7,13H2,1H3.
What are the key properties of (4-amino-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-yl)methanol?
(4-amino-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-yl)methanol 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-amino-3-cyclopropyl-1-methyl-6,7-dihydro-5H-indazol-4-yl)methanol is sourced from PubChem (CID 83910598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).