5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole

C10H16N2 — CID 153311237

IUPAC5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole
SMILESCC(C)C1=CC2CNNC2C=C1
InChIInChI=1S/C10H16N2/c1-7(2)8-3-4-10-9(5-8)6-11-12-10/h3-5,7,9-12H,6H2,1-2H3
InChIKeyPVKKKIHUSLMDER-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.23
Rot. Bonds1

About 5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole

5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole (PubChem CID 153311237) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole.

Molecular Properties

Compound Name5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole
PubChem CID153311237
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole
SMILESCC(C)C1=CC2CNNC2C=C1
InChIInChI=1S/C10H16N2/c1-7(2)8-3-4-10-9(5-8)6-11-12-10/h3-5,7,9-12H,6H2,1-2H3
InChIKeyPVKKKIHUSLMDER-UHFFFAOYSA-N
XLogP1.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole?
The IUPAC name of 5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole (CID 153311237) is 5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole.
What is the SMILES notation for 5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole?
The canonical SMILES for 5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole is CC(C)C1=CC2CNNC2C=C1.
What is the InChIKey of 5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole?
The InChIKey is PVKKKIHUSLMDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)8-3-4-10-9(5-8)6-11-12-10/h3-5,7,9-12H,6H2,1-2H3.
What are the key properties of 5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole?
5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole has a molecular weight of 164.25 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indazole is sourced from PubChem (CID 153311237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).