(5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole

C10H16N2 — CID 118699358

IUPAC(5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC(C)[C@@H]1CCc2[nH]ncc2C1
InChIInChI=1S/C10H16N2/c1-7(2)8-3-4-10-9(5-8)6-11-12-10/h6-8H,3-5H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyJECUVWLLGKRWRV-MRVPVSSYSA-N
MW164.25 g/mol
LogP2.17
Rot. Bonds1

About (5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole

(5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 118699358) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name(5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID118699358
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC(C)[C@@H]1CCc2[nH]ncc2C1
InChIInChI=1S/C10H16N2/c1-7(2)8-3-4-10-9(5-8)6-11-12-10/h6-8H,3-5H2,1-2H3,(H,11,12)/t8-/m1/s1
InChIKeyJECUVWLLGKRWRV-MRVPVSSYSA-N
XLogP2.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of (5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole (CID 118699358) is (5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for (5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for (5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole is CC(C)[C@@H]1CCc2[nH]ncc2C1.
What is the InChIKey of (5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is JECUVWLLGKRWRV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)8-3-4-10-9(5-8)6-11-12-10/h6-8H,3-5H2,1-2H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
(5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 164.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 118699358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).