5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole

C16H20N2 — CID 59050135

IUPAC5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole
SMILESCC(C)n1cc2c(n1)CCC(c1ccccc1)C2
InChIInChI=1S/C16H20N2/c1-12(2)18-11-15-10-14(8-9-16(15)17-18)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3
InChIKeyDSTGBAKCYIWBEV-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.74
Rot. Bonds2

About 5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole

5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole (PubChem CID 59050135) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole
PubChem CID59050135
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole
SMILESCC(C)n1cc2c(n1)CCC(c1ccccc1)C2
InChIInChI=1S/C16H20N2/c1-12(2)18-11-15-10-14(8-9-16(15)17-18)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3
InChIKeyDSTGBAKCYIWBEV-UHFFFAOYSA-N
XLogP3.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole?
The IUPAC name of 5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole (CID 59050135) is 5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole is CC(C)n1cc2c(n1)CCC(c1ccccc1)C2.
What is the InChIKey of 5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole?
The InChIKey is DSTGBAKCYIWBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12(2)18-11-15-10-14(8-9-16(15)17-18)13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3.
What are the key properties of 5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole?
5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole has a molecular weight of 240.35 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-propan-2-yl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 59050135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).