3-(difluoromethyl)-1-ethyl-7-methyl-5,6-dihydro-4H-indazol-7-ol

C11H16F2N2O — CID 118357711

IUPAC3-(difluoromethyl)-1-ethyl-7-methyl-5,6-dihydro-4H-indazol-7-ol
SMILESCCn1nc(C(F)F)c2c1C(C)(O)CCC2
InChIInChI=1S/C11H16F2N2O/c1-3-15-9-7(8(14-15)10(12)13)5-4-6-11(9,2)16/h10,16H,3-6H2,1-2H3
InChIKeyJHYQMYXXZONPBM-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.38
Rot. Bonds2

About 3-(difluoromethyl)-1-ethyl-7-methyl-5,6-dihydro-4H-indazol-7-ol

3-(difluoromethyl)-1-ethyl-7-methyl-5,6-dihydro-4H-indazol-7-ol (PubChem CID 118357711) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-ethyl-7-methyl-5,6-dihydro-4H-indazol-7-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-1-ethyl-7-methyl-5,6-dihydro-4H-indazol-7-ol
PubChem CID118357711
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3-(difluoromethyl)-1-ethyl-7-methyl-5,6-dihydro-4H-indazol-7-ol
SMILESCCn1nc(C(F)F)c2c1C(C)(O)CCC2
InChIInChI=1S/C11H16F2N2O/c1-3-15-9-7(8(14-15)10(12)13)5-4-6-11(9,2)16/h10,16H,3-6H2,1-2H3
InChIKeyJHYQMYXXZONPBM-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-Tetrahydro-5-hydroxy-1-methyl-3-trifluoromethyl-1H-indazole
CID 57368460
2-(3-(difluoromethyl)-7-hydroxy-7-methyl-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetic acid
CID 71186753
1-Propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
CID 71204328
3-(Difluoromethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol
CID 71204372
3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol
CID 71204663
ethyl 2-(3-(difluoromethyl)-7-hydroxy-7-methyl-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetate
CID 86719855
1-[3-(difluoromethyl)-7-hydroxy-7-methyl-5,6-dihydro-4H-indazol-1-yl]propan-2-one
CID 90162727
3-(Difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol
CID 90167577
1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol
CID 90167982
3-(difluoromethyl)-1,7-dimethyl-5,6-dihydro-4H-indazol-7-ol
CID 90167985
1-Ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
CID 118357663
1-ethyl-7-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol
CID 118357710

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-ethyl-7-methyl-5,6-dihydro-4H-indazol-7-ol?
The IUPAC name of 3-(difluoromethyl)-1-ethyl-7-methyl-5,6-dihydro-4H-indazol-7-ol (CID 118357711) is 3-(difluoromethyl)-1-ethyl-7-methyl-5,6-dihydro-4H-indazol-7-ol.
What is the SMILES notation for 3-(difluoromethyl)-1-ethyl-7-methyl-5,6-dihydro-4H-indazol-7-ol?
The canonical SMILES for 3-(difluoromethyl)-1-ethyl-7-methyl-5,6-dihydro-4H-indazol-7-ol is CCn1nc(C(F)F)c2c1C(C)(O)CCC2.
What is the InChIKey of 3-(difluoromethyl)-1-ethyl-7-methyl-5,6-dihydro-4H-indazol-7-ol?
The InChIKey is JHYQMYXXZONPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-3-15-9-7(8(14-15)10(12)13)5-4-6-11(9,2)16/h10,16H,3-6H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-1-ethyl-7-methyl-5,6-dihydro-4H-indazol-7-ol?
3-(difluoromethyl)-1-ethyl-7-methyl-5,6-dihydro-4H-indazol-7-ol has a molecular weight of 230.26 g/mol, XLogP of 2.38, 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-7-methyl-5,6-dihydro-4H-indazol-7-ol is sourced from PubChem (CID 118357711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).