2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine

C14H17N3 — CID 65348604

IUPAC2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESCc1ccc(-n2nc3c(c2N)CCCC3)cc1
InChIInChI=1S/C14H17N3/c1-10-6-8-11(9-7-10)17-14(15)12-4-2-3-5-13(12)16-17/h6-9H,2-5,15H2,1H3
InChIKeyDMIIONIYJHMLJI-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.64
Rot. Bonds1

About 2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine

2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 65348604) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID65348604
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine
SMILESCc1ccc(-n2nc3c(c2N)CCCC3)cc1
InChIInChI=1S/C14H17N3/c1-10-6-8-11(9-7-10)17-14(15)12-4-2-3-5-13(12)16-17/h6-9H,2-5,15H2,1H3
InChIKeyDMIIONIYJHMLJI-UHFFFAOYSA-N
XLogP2.64
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine (CID 65348604) is 2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine is Cc1ccc(-n2nc3c(c2N)CCCC3)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is DMIIONIYJHMLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-6-8-11(9-7-10)17-14(15)12-4-2-3-5-13(12)16-17/h6-9H,2-5,15H2,1H3.
What are the key properties of 2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine?
2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 227.31 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 65348604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).