(4R)-4-methyl-2-[(3S)-3-methyloxolan-2-yl]-4,5,6,7-tetrahydroindazole

C13H20N2O — CID 134353049

IUPAC(4R)-4-methyl-2-[(3S)-3-methyloxolan-2-yl]-4,5,6,7-tetrahydroindazole
SMILESC[C@@H]1CCCc2nn(C3OCC[C@@H]3C)cc21
InChIInChI=1S/C13H20N2O/c1-9-4-3-5-12-11(9)8-15(14-12)13-10(2)6-7-16-13/h8-10,13H,3-7H2,1-2H3/t9-,10+,13?/m1/s1
InChIKeyUCVJSAZMBNHJEY-GDVCOKDOSA-N
MW220.32 g/mol
LogP2.88
Rot. Bonds1

About (4R)-4-methyl-2-[(3S)-3-methyloxolan-2-yl]-4,5,6,7-tetrahydroindazole

(4R)-4-methyl-2-[(3S)-3-methyloxolan-2-yl]-4,5,6,7-tetrahydroindazole (PubChem CID 134353049) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (4R)-4-methyl-2-[(3S)-3-methyloxolan-2-yl]-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name(4R)-4-methyl-2-[(3S)-3-methyloxolan-2-yl]-4,5,6,7-tetrahydroindazole
PubChem CID134353049
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(4R)-4-methyl-2-[(3S)-3-methyloxolan-2-yl]-4,5,6,7-tetrahydroindazole
SMILESC[C@@H]1CCCc2nn(C3OCC[C@@H]3C)cc21
InChIInChI=1S/C13H20N2O/c1-9-4-3-5-12-11(9)8-15(14-12)13-10(2)6-7-16-13/h8-10,13H,3-7H2,1-2H3/t9-,10+,13?/m1/s1
InChIKeyUCVJSAZMBNHJEY-GDVCOKDOSA-N
XLogP2.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-2-[(3S)-3-methyloxolan-2-yl]-4,5,6,7-tetrahydroindazole?
The IUPAC name of (4R)-4-methyl-2-[(3S)-3-methyloxolan-2-yl]-4,5,6,7-tetrahydroindazole (CID 134353049) is (4R)-4-methyl-2-[(3S)-3-methyloxolan-2-yl]-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for (4R)-4-methyl-2-[(3S)-3-methyloxolan-2-yl]-4,5,6,7-tetrahydroindazole?
The canonical SMILES for (4R)-4-methyl-2-[(3S)-3-methyloxolan-2-yl]-4,5,6,7-tetrahydroindazole is C[C@@H]1CCCc2nn(C3OCC[C@@H]3C)cc21.
What is the InChIKey of (4R)-4-methyl-2-[(3S)-3-methyloxolan-2-yl]-4,5,6,7-tetrahydroindazole?
The InChIKey is UCVJSAZMBNHJEY-GDVCOKDOSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-4-3-5-12-11(9)8-15(14-12)13-10(2)6-7-16-13/h8-10,13H,3-7H2,1-2H3/t9-,10+,13?/m1/s1.
What are the key properties of (4R)-4-methyl-2-[(3S)-3-methyloxolan-2-yl]-4,5,6,7-tetrahydroindazole?
(4R)-4-methyl-2-[(3S)-3-methyloxolan-2-yl]-4,5,6,7-tetrahydroindazole has a molecular weight of 220.32 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-2-[(3S)-3-methyloxolan-2-yl]-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 134353049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).