3-(difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol

C10H14F2N2O — CID 118357791

IUPAC3-(difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol
SMILESCCn1nc(C(F)F)c2c1C(O)CCC2
InChIInChI=1S/C10H14F2N2O/c1-2-14-9-6(4-3-5-7(9)15)8(13-14)10(11)12/h7,10,15H,2-5H2,1H3
InChIKeyLHXJAIFBLXYZBO-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.21
Rot. Bonds2

About 3-(difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol

3-(difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol (PubChem CID 118357791) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol
PubChem CID118357791
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name3-(difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol
SMILESCCn1nc(C(F)F)c2c1C(O)CCC2
InChIInChI=1S/C10H14F2N2O/c1-2-14-9-6(4-3-5-7(9)15)8(13-14)10(11)12/h7,10,15H,2-5H2,1H3
InChIKeyLHXJAIFBLXYZBO-UHFFFAOYSA-N
XLogP2.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol?
The IUPAC name of 3-(difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol (CID 118357791) is 3-(difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol.
What is the SMILES notation for 3-(difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol?
The canonical SMILES for 3-(difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol is CCn1nc(C(F)F)c2c1C(O)CCC2.
What is the InChIKey of 3-(difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol?
The InChIKey is LHXJAIFBLXYZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-2-14-9-6(4-3-5-7(9)15)8(13-14)10(11)12/h7,10,15H,2-5H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol?
3-(difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol has a molecular weight of 216.23 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol is sourced from PubChem (CID 118357791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).