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

C11H17F2N3O — CID 113262553

IUPAC1,1-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-ol
SMILESCn1ncc2c1CCCC2NCC(O)C(F)F
InChIInChI=1S/C11H17F2N3O/c1-16-9-4-2-3-8(7(9)5-15-16)14-6-10(17)11(12)13/h5,8,10-11,14,17H,2-4,6H2,1H3
InChIKeyBZPMEMXMCDOEOX-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.01
Rot. Bonds4

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

1,1-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-ol (PubChem CID 113262553) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 1,1-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-ol
PubChem CID113262553
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name1,1-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-ol
SMILESCn1ncc2c1CCCC2NCC(O)C(F)F
InChIInChI=1S/C11H17F2N3O/c1-16-9-4-2-3-8(7(9)5-15-16)14-6-10(17)11(12)13/h5,8,10-11,14,17H,2-4,6H2,1H3
InChIKeyBZPMEMXMCDOEOX-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 1,1-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-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
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
1-[2-(Cyclohexen-1-yl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 53506177
1-[1-(2-Hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 53507923
1-(Cyclohexylmethyl)-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 53519911
1-Cyclohexyl-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 53523002
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-6-amine
CID 54594815
2-[(5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl)methyl]-3-(2,2,2-trifluoroethylamino)propan-1-ol
CID 166657282
4,5,6,7-Tetrahydro-1-methyl-N-(2,2,2-trifluoroethyl)-1H-indazol-4-amine
CID 43254493

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-ol (CID 113262553) is 1,1-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-ol is Cn1ncc2c1CCCC2NCC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-ol?
The InChIKey is BZPMEMXMCDOEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-16-9-4-2-3-8(7(9)5-15-16)14-6-10(17)11(12)13/h5,8,10-11,14,17H,2-4,6H2,1H3.
What are the key properties of 1,1-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-ol?
1,1-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-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 1,1-difluoro-3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-2-ol is sourced from PubChem (CID 113262553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).