1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine

C15H19N3 — CID 44819529

IUPAC1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1cc(C)cc(-n2ncc3c2CCCC3N)c1
InChIInChI=1S/C15H19N3/c1-10-6-11(2)8-12(7-10)18-15-5-3-4-14(16)13(15)9-17-18/h6-9,14H,3-5,16H2,1-2H3
InChIKeyLFRTVNMBHGEHRH-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.83
Rot. Bonds1

About 1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine

1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 44819529) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID44819529
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1cc(C)cc(-n2ncc3c2CCCC3N)c1
InChIInChI=1S/C15H19N3/c1-10-6-11(2)8-12(7-10)18-15-5-3-4-14(16)13(15)9-17-18/h6-9,14H,3-5,16H2,1-2H3
InChIKeyLFRTVNMBHGEHRH-UHFFFAOYSA-N
XLogP2.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 44819529) is 1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine is Cc1cc(C)cc(-n2ncc3c2CCCC3N)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is LFRTVNMBHGEHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-6-11(2)8-12(7-10)18-15-5-3-4-14(16)13(15)9-17-18/h6-9,14H,3-5,16H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine?
1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 241.34 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 44819529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).