6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine

C15H14BrN3 — CID 155522594

IUPAC6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine
SMILESCC(Nc1cc(Br)cc2[nH]ncc12)c1ccccc1
InChIInChI=1S/C15H14BrN3/c1-10(11-5-3-2-4-6-11)18-14-7-12(16)8-15-13(14)9-17-19-15/h2-10,18H,1H3,(H,17,19)
InChIKeyKBGWVVQNOWBGRP-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.50
Rot. Bonds3

About 6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine

6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine (PubChem CID 155522594) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine.

Molecular Properties

Compound Name6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine
PubChem CID155522594
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine
SMILESCC(Nc1cc(Br)cc2[nH]ncc12)c1ccccc1
InChIInChI=1S/C15H14BrN3/c1-10(11-5-3-2-4-6-11)18-14-7-12(16)8-15-13(14)9-17-19-15/h2-10,18H,1H3,(H,17,19)
InChIKeyKBGWVVQNOWBGRP-UHFFFAOYSA-N
XLogP4.50
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine?
The IUPAC name of 6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine (CID 155522594) is 6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine.
What is the SMILES notation for 6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine?
The canonical SMILES for 6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine is CC(Nc1cc(Br)cc2[nH]ncc12)c1ccccc1.
What is the InChIKey of 6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine?
The InChIKey is KBGWVVQNOWBGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-10(11-5-3-2-4-6-11)18-14-7-12(16)8-15-13(14)9-17-19-15/h2-10,18H,1H3,(H,17,19).
What are the key properties of 6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine?
6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine has a molecular weight of 316.20 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-phenylethyl)-1H-indazol-4-amine is sourced from PubChem (CID 155522594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).