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

C13H22N2O — CID 11042313

IUPAC2-[(4R,7R)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCC(C)[C@H]1CC[C@@H](C)c2cnn(CCO)c21
InChIInChI=1S/C13H22N2O/c1-9(2)11-5-4-10(3)12-8-14-15(6-7-16)13(11)12/h8-11,16H,4-7H2,1-3H3/t10-,11-/m1/s1
InChIKeyWSUINAJVBBLLRE-GHMZBOCLSA-N
MW222.33 g/mol
LogP2.51
Rot. Bonds3

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

2-[(4R,7R)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 11042313) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[(4R,7R)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[(4R,7R)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID11042313
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[(4R,7R)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCC(C)[C@H]1CC[C@@H](C)c2cnn(CCO)c21
InChIInChI=1S/C13H22N2O/c1-9(2)11-5-4-10(3)12-8-14-15(6-7-16)13(11)12/h8-11,16H,4-7H2,1-3H3/t10-,11-/m1/s1
InChIKeyWSUINAJVBBLLRE-GHMZBOCLSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(4-amino-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethan-1-ol
CID 43810753
(1-methyl-4,5,6,7-tetrahydro-1H-indazol-7-yl)methanol
CID 178199937
4-Methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
CID 144170507
4-Methyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
CID 144170530
2-[4-(1,1-Difluoropropan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 113746940
2-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)acetic acid
CID 20887509
1,7-Dimethyl-4,5,6,7-tetrahydroindazole
CID 13549260
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
4,5,6,7-Tetrahydro-1-methyl-4-[2-(4-morpholinyl)ethyl]-1H-indazole
CID 11624240
2,6-Dimethyl-4,5,6,7-tetrahydroindazole
CID 14145447
1,6-Dimethyl-4,5,6,7-tetrahydroindazole
CID 14145449

Frequently Asked Questions

What is the IUPAC name of 2-[(4R,7R)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[(4R,7R)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 11042313) is 2-[(4R,7R)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[(4R,7R)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[(4R,7R)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]ethanol is CC(C)[C@H]1CC[C@@H](C)c2cnn(CCO)c21.
What is the InChIKey of 2-[(4R,7R)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is WSUINAJVBBLLRE-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)11-5-4-10(3)12-8-14-15(6-7-16)13(11)12/h8-11,16H,4-7H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of 2-[(4R,7R)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[(4R,7R)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 222.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R,7R)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 11042313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).