2-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanol

C10H16N2O — CID 97052469

IUPAC2-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanol
SMILESCn1ncc2c1CCC[C@@H]2CCO
InChIInChI=1S/C10H16N2O/c1-12-10-4-2-3-8(5-6-13)9(10)7-11-12/h7-8,13H,2-6H2,1H3/t8-/m1/s1
InChIKeyXGXFTDBRTANYKO-MRVPVSSYSA-N
MW180.25 g/mol
LogP1.22
Rot. Bonds2

About 2-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanol

2-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanol (PubChem CID 97052469) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanol
PubChem CID97052469
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanol
SMILESCn1ncc2c1CCC[C@@H]2CCO
InChIInChI=1S/C10H16N2O/c1-12-10-4-2-3-8(5-6-13)9(10)7-11-12/h7-8,13H,2-6H2,1H3/t8-/m1/s1
InChIKeyXGXFTDBRTANYKO-MRVPVSSYSA-N
XLogP1.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 13836898
(1-methyl-4,5,6,7-tetrahydro-1H-indazol-7-yl)methanol
CID 178199937
3-[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 74890407
3-[1-(3-Methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 110006212
3-[1-(2-Methylbutyl)-3-(trifluoromethyl)pyrazol-4-yl]propan-1-ol
CID 110006217
3-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]propan-1-ol
CID 165637094
3-(1,5-dimethyl-1H-pyrazol-4-yl)-3,3-difluoropropan-1-ol
CID 165660802
trans-(1S,2S)-2-(4,5,6,7-tetrahydroindazol-2-yl)cyclohexan-1-ol
CID 15853908
4,5,6,7-Tetrahydroindazol-1-ylmethanol
CID 130123800
2-Propan-2-yl-4,5,6,7-tetrahydroindazol-5-ol
CID 59050164
Ethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate
CID 67587665
2-(1-Ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 67587857

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanol?
The IUPAC name of 2-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanol (CID 97052469) is 2-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanol.
What is the SMILES notation for 2-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanol?
The canonical SMILES for 2-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanol is Cn1ncc2c1CCC[C@@H]2CCO.
What is the InChIKey of 2-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanol?
The InChIKey is XGXFTDBRTANYKO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12-10-4-2-3-8(5-6-13)9(10)7-11-12/h7-8,13H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of 2-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanol?
2-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanol has a molecular weight of 180.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanol is sourced from PubChem (CID 97052469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).