1,3-diethyl-4,5,6,7-tetrahydroindazol-5-ol

C11H18N2O — CID 118578654

IUPAC1,3-diethyl-4,5,6,7-tetrahydroindazol-5-ol
SMILESCCc1nn(CC)c2c1CC(O)CC2
InChIInChI=1S/C11H18N2O/c1-3-10-9-7-8(14)5-6-11(9)13(4-2)12-10/h8,14H,3-7H2,1-2H3
InChIKeyYIDROECXAIDXHY-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.32
Rot. Bonds2

About 1,3-diethyl-4,5,6,7-tetrahydroindazol-5-ol

1,3-diethyl-4,5,6,7-tetrahydroindazol-5-ol (PubChem CID 118578654) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1,3-diethyl-4,5,6,7-tetrahydroindazol-5-ol.

Molecular Properties

Compound Name1,3-diethyl-4,5,6,7-tetrahydroindazol-5-ol
PubChem CID118578654
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1,3-diethyl-4,5,6,7-tetrahydroindazol-5-ol
SMILESCCc1nn(CC)c2c1CC(O)CC2
InChIInChI=1S/C11H18N2O/c1-3-10-9-7-8(14)5-6-11(9)13(4-2)12-10/h8,14H,3-7H2,1-2H3
InChIKeyYIDROECXAIDXHY-UHFFFAOYSA-N
XLogP1.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.32
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
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)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol
CID 90167577
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol
CID 90167822
1-Ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
CID 118357663
1-Ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol
CID 118357736
3-(Difluoromethyl)-1-ethyl-4,5,6,7-tetrahydroindazol-7-ol
CID 118357791
5-methyl-1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol
CID 124144162
1,5-dimethyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol
CID 124146267
1-Propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol
CID 129129791
1-ethyl-5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-ol
CID 137483071

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-4,5,6,7-tetrahydroindazol-5-ol?
The IUPAC name of 1,3-diethyl-4,5,6,7-tetrahydroindazol-5-ol (CID 118578654) is 1,3-diethyl-4,5,6,7-tetrahydroindazol-5-ol.
What is the SMILES notation for 1,3-diethyl-4,5,6,7-tetrahydroindazol-5-ol?
The canonical SMILES for 1,3-diethyl-4,5,6,7-tetrahydroindazol-5-ol is CCc1nn(CC)c2c1CC(O)CC2.
What is the InChIKey of 1,3-diethyl-4,5,6,7-tetrahydroindazol-5-ol?
The InChIKey is YIDROECXAIDXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-10-9-7-8(14)5-6-11(9)13(4-2)12-10/h8,14H,3-7H2,1-2H3.
What are the key properties of 1,3-diethyl-4,5,6,7-tetrahydroindazol-5-ol?
1,3-diethyl-4,5,6,7-tetrahydroindazol-5-ol has a molecular weight of 194.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4,5,6,7-tetrahydroindazol-5-ol is sourced from PubChem (CID 118578654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).