N-(4-tert-butylphenyl)-1H-indazol-3-amine

C17H19N3 — CID 51361059

IUPACN-(4-tert-butylphenyl)-1H-indazol-3-amine
SMILESCC(C)(C)c1ccc(Nc2n[nH]c3ccccc23)cc1
InChIInChI=1S/C17H19N3/c1-17(2,3)12-8-10-13(11-9-12)18-16-14-6-4-5-7-15(14)19-20-16/h4-11H,1-3H3,(H2,18,19,20)
InChIKeyRACMIUAAKPPEPS-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.60
Rot. Bonds2

About N-(4-tert-butylphenyl)-1H-indazol-3-amine

N-(4-tert-butylphenyl)-1H-indazol-3-amine (PubChem CID 51361059) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1H-indazol-3-amine
PubChem CID51361059
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-(4-tert-butylphenyl)-1H-indazol-3-amine
SMILESCC(C)(C)c1ccc(Nc2n[nH]c3ccccc23)cc1
InChIInChI=1S/C17H19N3/c1-17(2,3)12-8-10-13(11-9-12)18-16-14-6-4-5-7-15(14)19-20-16/h4-11H,1-3H3,(H2,18,19,20)
InChIKeyRACMIUAAKPPEPS-UHFFFAOYSA-N
XLogP4.60
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1H-indazol-3-amine?
The IUPAC name of N-(4-tert-butylphenyl)-1H-indazol-3-amine (CID 51361059) is N-(4-tert-butylphenyl)-1H-indazol-3-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-1H-indazol-3-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-1H-indazol-3-amine is CC(C)(C)c1ccc(Nc2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1H-indazol-3-amine?
The InChIKey is RACMIUAAKPPEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-17(2,3)12-8-10-13(11-9-12)18-16-14-6-4-5-7-15(14)19-20-16/h4-11H,1-3H3,(H2,18,19,20).
What are the key properties of N-(4-tert-butylphenyl)-1H-indazol-3-amine?
N-(4-tert-butylphenyl)-1H-indazol-3-amine has a molecular weight of 265.36 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1H-indazol-3-amine is sourced from PubChem (CID 51361059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).