2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol

C11H17F2N3O — CID 104860515

IUPAC2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
SMILESCn1ncc2c1CCCC2NCC(F)(F)CO
InChIInChI=1S/C11H17F2N3O/c1-16-10-4-2-3-9(8(10)5-15-16)14-6-11(12,13)7-17/h5,9,14,17H,2-4,6-7H2,1H3
InChIKeyAEMGYCGDNVCIKL-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.01
Rot. Bonds4

About 2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol

2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol (PubChem CID 104860515) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
PubChem CID104860515
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
SMILESCn1ncc2c1CCCC2NCC(F)(F)CO
InChIInChI=1S/C11H17F2N3O/c1-16-10-4-2-3-9(8(10)5-15-16)14-6-11(12,13)7-17/h5,9,14,17H,2-4,6-7H2,1H3
InChIKeyAEMGYCGDNVCIKL-UHFFFAOYSA-N
XLogP1.01
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol with MolForge

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Related Compounds

1-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-indazol-7-amine
CID 75480822
2-(4-amino-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethan-1-ol
CID 43810753
1-ethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 65356404
2-(propan-2-yl)-4,5,6,7-tetrahydro-2H-indazol-6-amine
CID 71758750
4,5,6,7-Tetrahydro-1-methyl-1H-indazol-4-amine
CID 43243410
N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 43254490
2-methyl-4,5,6,7-tetrahydro-2H-indazol-4-amine
CID 69037234
1-[1-(2-Hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 53507923
1-tert-butyl-4,5,6,7-tetrahydro-1H-indazol-4-amine
CID 45791492
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-6-amine dihydrochloride
CID 54594814
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-6-amine
CID 54594815
1-ethyl-6,6-difluoro-5,7-dihydro-4H-indazole
CID 141267794

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol (CID 104860515) is 2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol is Cn1ncc2c1CCCC2NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol?
The InChIKey is AEMGYCGDNVCIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-16-10-4-2-3-9(8(10)5-15-16)14-6-11(12,13)7-17/h5,9,14,17H,2-4,6-7H2,1H3.
What are the key properties of 2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol?
2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol has a molecular weight of 245.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol is sourced from PubChem (CID 104860515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).