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

C10H16N2O — CID 84718398

IUPAC2-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCC(C)n1cc2c(n1)CCCC2O
InChIInChI=1S/C10H16N2O/c1-7(2)12-6-8-9(11-12)4-3-5-10(8)13/h6-7,10,13H,3-5H2,1-2H3
InChIKeySTIDPMOQTLGOHX-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.83
Rot. Bonds1

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

2-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol (PubChem CID 84718398) 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-4-ol.

Molecular Properties

Compound Name2-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol
PubChem CID84718398
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol
SMILESCC(C)n1cc2c(n1)CCCC2O
InChIInChI=1S/C10H16N2O/c1-7(2)12-6-8-9(11-12)4-3-5-10(8)13/h6-7,10,13H,3-5H2,1-2H3
InChIKeySTIDPMOQTLGOHX-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-4,5,6,7-tetrahydroindazole
CID 59050198
N-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-amine
CID 112712282
2-propan-2-yl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 83863210
2-ethyl-4,5,6,7-tetrahydrobenzotriazol-4-ol
CID 84717225
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
CID 83207793
2-propan-2-yl-4,5,6,7-tetrahydroindazole-6-carbonitrile
CID 84719337
(2S)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol
CID 100638267
(2R)-1-[[(4R)-2-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]propan-2-ol
CID 100638279
2,3-dimethyl-4,5,6,7-tetrahydroindazol-4-ol
CID 84717143
2-methyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol
CID 62117770
5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole
CID 59050135
(2R)-2-amino-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)propanamide;hydrochloride
CID 119325314

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol?
The IUPAC name of 2-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol (CID 84718398) is 2-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 2-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol?
The canonical SMILES for 2-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol is CC(C)n1cc2c(n1)CCCC2O.
What is the InChIKey of 2-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol?
The InChIKey is STIDPMOQTLGOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)12-6-8-9(11-12)4-3-5-10(8)13/h6-7,10,13H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol?
2-propan-2-yl-4,5,6,7-tetrahydroindazol-4-ol has a molecular weight of 180.25 g/mol, XLogP of 1.83, 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-4-ol is sourced from PubChem (CID 84718398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).