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

C14H16BrN3 — CID 65353287

IUPAC2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1c2c(nn1Cc1cccc(Br)c1)CCCC2
InChIInChI=1S/C14H16BrN3/c15-11-5-3-4-10(8-11)9-18-14(16)12-6-1-2-7-13(12)17-18/h3-5,8H,1-2,6-7,9,16H2
InChIKeyVBJHMXRBLNLIKV-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.15
Rot. Bonds2

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

2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 65353287) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID65353287
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine
SMILESNc1c2c(nn1Cc1cccc(Br)c1)CCCC2
InChIInChI=1S/C14H16BrN3/c15-11-5-3-4-10(8-11)9-18-14(16)12-6-1-2-7-13(12)17-18/h3-5,8H,1-2,6-7,9,16H2
InChIKeyVBJHMXRBLNLIKV-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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Related Compounds

2-[(2-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine
CID 65353288
1-[(3-bromophenyl)methyl]azepane-2,7-dione
CID 60976376
1-[(3-bromophenyl)methyl]-5-methylpyrazol-3-amine
CID 63276741
2-[(3-bromophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351504
5-amino-1-[(3-bromophenyl)methyl]pyrazole-4-carbonitrile
CID 63276647
2-[(4-bromophenyl)methyl]-3-chloro-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 66014304
2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine
CID 79855987
1-[(3-bromophenyl)methyl]pyrrolidin-2-one
CID 61414137
1-[(3-bromophenyl)methyl]-5-propan-2-yltriazol-4-amine
CID 79543050
2-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
CID 65348552
2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydro-3aH-indazol-3-one
CID 63276255
4-[1-[(3-bromophenyl)methyl]tetrazol-5-yl]aniline
CID 61410344

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine (CID 65353287) is 2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine is Nc1c2c(nn1Cc1cccc(Br)c1)CCCC2.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is VBJHMXRBLNLIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c15-11-5-3-4-10(8-11)9-18-14(16)12-6-1-2-7-13(12)17-18/h3-5,8H,1-2,6-7,9,16H2.
What are the key properties of 2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine?
2-[(3-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-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 65353287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).