2-propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol

C10H16N2O — CID 59050164

IUPAC2-propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol
SMILESCC(C)n1cc2c(n1)CCC(O)C2
InChIInChI=1S/C10H16N2O/c1-7(2)12-6-8-5-9(13)3-4-10(8)11-12/h6-7,9,13H,3-5H2,1-2H3
InChIKeyGHQZJBHAJFWYMK-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.31
Rot. Bonds1

About 2-propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol

2-propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol (PubChem CID 59050164) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol.

Molecular Properties

Compound Name2-propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol
PubChem CID59050164
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol
SMILESCC(C)n1cc2c(n1)CCC(O)C2
InChIInChI=1S/C10H16N2O/c1-7(2)12-6-8-5-9(13)3-4-10(8)11-12/h6-7,9,13H,3-5H2,1-2H3
InChIKeyGHQZJBHAJFWYMK-UHFFFAOYSA-N
XLogP1.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-4,5,6,7-tetrahydro-1H-indazol-7-yl)methanol
CID 178199937
1-Propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
CID 71204328
1-Ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-5-ol
CID 118357663
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]pentane-1,3-diol
CID 141407055
2-[3-(Difluoromethyl)-1-ethylpyrazol-4-yl]pentane-1,3-diol
CID 141407058
(2R)-2-[1-tert-butyl-3-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-ol
CID 173838595
1-(Trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-ol
CID 175970597
1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-2-ol
CID 83675743
(2S)-1-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]propan-2-ol
CID 165636500
(2R)-1-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]propan-2-ol
CID 165636501
3-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]-1,1,1-trifluoropropan-2-ol
CID 165637360
3-(1,5-dimethyl-1H-pyrazol-4-yl)-1,1,1-trifluoropropan-2-ol
CID 165650666

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol?
The IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol (CID 59050164) is 2-propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol.
What is the SMILES notation for 2-propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol?
The canonical SMILES for 2-propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol is CC(C)n1cc2c(n1)CCC(O)C2.
What is the InChIKey of 2-propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol?
The InChIKey is GHQZJBHAJFWYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)12-6-8-5-9(13)3-4-10(8)11-12/h6-7,9,13H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol?
2-propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol has a molecular weight of 180.25 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol is sourced from PubChem (CID 59050164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).