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

C11H16F2N2O — CID 71204372

IUPAC3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol
SMILESCC(C)n1nc(C(F)F)c2c1C(O)CCC2
InChIInChI=1S/C11H16F2N2O/c1-6(2)15-10-7(4-3-5-8(10)16)9(14-15)11(12)13/h6,8,11,16H,3-5H2,1-2H3
InChIKeyMMIKFZQJAUUDEI-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.77
Rot. Bonds2

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

3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol (PubChem CID 71204372) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol
PubChem CID71204372
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol
SMILESCC(C)n1nc(C(F)F)c2c1C(O)CCC2
InChIInChI=1S/C11H16F2N2O/c1-6(2)15-10-7(4-3-5-8(10)16)9(14-15)11(12)13/h6,8,11,16H,3-5H2,1-2H3
InChIKeyMMIKFZQJAUUDEI-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol?
The IUPAC name of 3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol (CID 71204372) is 3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol.
What is the SMILES notation for 3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol?
The canonical SMILES for 3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol is CC(C)n1nc(C(F)F)c2c1C(O)CCC2.
What is the InChIKey of 3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol?
The InChIKey is MMIKFZQJAUUDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-6(2)15-10-7(4-3-5-8(10)16)9(14-15)11(12)13/h6,8,11,16H,3-5H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol?
3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol has a molecular weight of 230.26 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol is sourced from PubChem (CID 71204372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).