1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol

C10H13F3N2O — CID 90167982

IUPAC1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol
SMILESCn1nc(C(F)(F)F)c2c1C(C)(O)CCC2
InChIInChI=1S/C10H13F3N2O/c1-9(16)5-3-4-6-7(10(11,12)13)14-15(2)8(6)9/h16H,3-5H2,1-2H3
InChIKeyNXKVEQDTNDNJGJ-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.98
Rot. Bonds

About 1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol

1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol (PubChem CID 90167982) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol.

Molecular Properties

Compound Name1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol
PubChem CID90167982
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol
SMILESCn1nc(C(F)(F)F)c2c1C(C)(O)CCC2
InChIInChI=1S/C10H13F3N2O/c1-9(16)5-3-4-6-7(10(11,12)13)14-15(2)8(6)9/h16H,3-5H2,1-2H3
InChIKeyNXKVEQDTNDNJGJ-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol?
The IUPAC name of 1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol (CID 90167982) is 1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol.
What is the SMILES notation for 1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol?
The canonical SMILES for 1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol is Cn1nc(C(F)(F)F)c2c1C(C)(O)CCC2.
What is the InChIKey of 1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol?
The InChIKey is NXKVEQDTNDNJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-9(16)5-3-4-6-7(10(11,12)13)14-15(2)8(6)9/h16H,3-5H2,1-2H3.
What are the key properties of 1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol?
1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol has a molecular weight of 234.22 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-7-ol is sourced from PubChem (CID 90167982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).