2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine

C14H16BrN3 — CID 65353288

IUPAC2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1c2c(nn1Cc1ccccc1Br)CCCC2
InChIInChI=1S/C14H16BrN3/c15-12-7-3-1-5-10(12)9-18-14(16)11-6-2-4-8-13(11)17-18/h1,3,5,7H,2,4,6,8-9,16H2
InChIKeyOXRJHOHWPXHEBU-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.15
Rot. Bonds2

About 2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine

2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 65353288) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID65353288
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1c2c(nn1Cc1ccccc1Br)CCCC2
InChIInChI=1S/C14H16BrN3/c15-12-7-3-1-5-10(12)9-18-14(16)11-6-2-4-8-13(11)17-18/h1,3,5,7H,2,4,6,8-9,16H2
InChIKeyOXRJHOHWPXHEBU-UHFFFAOYSA-N
XLogP3.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine (CID 65353288) is 2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine is Nc1c2c(nn1Cc1ccccc1Br)CCCC2.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is OXRJHOHWPXHEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-12-7-3-1-5-10(12)9-18-14(16)11-6-2-4-8-13(11)17-18/h1,3,5,7H,2,4,6,8-9,16H2.
What are the key properties of 2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine?
2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 306.21 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 65353288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).