5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine

C14H25N3 — CID 165476928

IUPAC5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine
SMILESCCCn1nc2c(c1N)CC(C(C)(C)C)CC2
InChIInChI=1S/C14H25N3/c1-5-8-17-13(15)11-9-10(14(2,3)4)6-7-12(11)16-17/h10H,5-9,15H2,1-4H3
InChIKeyZRMVGWAIZPXOCD-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.03
Rot. Bonds2

About 5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine

5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 165476928) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID165476928
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine
SMILESCCCn1nc2c(c1N)CC(C(C)(C)C)CC2
InChIInChI=1S/C14H25N3/c1-5-8-17-13(15)11-9-10(14(2,3)4)6-7-12(11)16-17/h10H,5-9,15H2,1-4H3
InChIKeyZRMVGWAIZPXOCD-UHFFFAOYSA-N
XLogP3.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine (CID 165476928) is 5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine is CCCn1nc2c(c1N)CC(C(C)(C)C)CC2.
What is the InChIKey of 5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is ZRMVGWAIZPXOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-8-17-13(15)11-9-10(14(2,3)4)6-7-12(11)16-17/h10H,5-9,15H2,1-4H3.
What are the key properties of 5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine?
5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-propyl-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 165476928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).