3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole

C10H16N2 — CID 5226481

IUPAC3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC(C)c1n[nH]c2c1CCCC2
InChIInChI=1S/C10H16N2/c1-7(2)10-8-5-3-4-6-9(8)11-12-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyXTCPGIUFXMBIBN-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.41
Rot. Bonds1

About 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole

3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 5226481) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID5226481
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC(C)c1n[nH]c2c1CCCC2
InChIInChI=1S/C10H16N2/c1-7(2)10-8-5-3-4-6-9(8)11-12-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyXTCPGIUFXMBIBN-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole (CID 5226481) is 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole is CC(C)c1n[nH]c2c1CCCC2.
What is the InChIKey of 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is XTCPGIUFXMBIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)10-8-5-3-4-6-9(8)11-12-10/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 164.25 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 5226481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).