(4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole

C9H14N2O — CID 163277295

IUPAC(4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCO[C@H]1c2cn[nH]c2CC[C@H]1C
InChIInChI=1S/C9H14N2O/c1-6-3-4-8-7(5-10-11-8)9(6)12-2/h5-6,9H,3-4H2,1-2H3,(H,10,11)/t6-,9-/m1/s1
InChIKeyKKUUGAHAJSSFMG-HZGVNTEJSA-N
MW166.22 g/mol
LogP1.68
Rot. Bonds1

About (4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole

(4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 163277295) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name(4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID163277295
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole
SMILESCO[C@H]1c2cn[nH]c2CC[C@H]1C
InChIInChI=1S/C9H14N2O/c1-6-3-4-8-7(5-10-11-8)9(6)12-2/h5-6,9H,3-4H2,1-2H3,(H,10,11)/t6-,9-/m1/s1
InChIKeyKKUUGAHAJSSFMG-HZGVNTEJSA-N
XLogP1.68
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of (4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole (CID 163277295) is (4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for (4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for (4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole is CO[C@H]1c2cn[nH]c2CC[C@H]1C.
What is the InChIKey of (4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is KKUUGAHAJSSFMG-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-3-4-8-7(5-10-11-8)9(6)12-2/h5-6,9H,3-4H2,1-2H3,(H,10,11)/t6-,9-/m1/s1.
What are the key properties of (4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole?
(4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 166.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-methoxy-5-methyl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 163277295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).