1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-amine

C17H23N3 — CID 44819528

IUPAC1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC(C)(C)c1ccc(-n2ncc3c2CCCC3N)cc1
InChIInChI=1S/C17H23N3/c1-17(2,3)12-7-9-13(10-8-12)20-16-6-4-5-15(18)14(16)11-19-20/h7-11,15H,4-6,18H2,1-3H3
InChIKeyZWZWJABZNNTAJU-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.51
Rot. Bonds1

About 1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-amine

1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 44819528) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID44819528
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC(C)(C)c1ccc(-n2ncc3c2CCCC3N)cc1
InChIInChI=1S/C17H23N3/c1-17(2,3)12-7-9-13(10-8-12)20-16-6-4-5-15(18)14(16)11-19-20/h7-11,15H,4-6,18H2,1-3H3
InChIKeyZWZWJABZNNTAJU-UHFFFAOYSA-N
XLogP3.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 44819528) is 1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-amine is CC(C)(C)c1ccc(-n2ncc3c2CCCC3N)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is ZWZWJABZNNTAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2,3)12-7-9-13(10-8-12)20-16-6-4-5-15(18)14(16)11-19-20/h7-11,15H,4-6,18H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 44819528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).