N-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C14H18BrN3O — CID 104652571

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC(NC1CCCc2c1cnn2C)c1ccc(Br)o1
InChIInChI=1S/C14H18BrN3O/c1-9(13-6-7-14(15)19-13)17-11-4-3-5-12-10(11)8-16-18(12)2/h6-9,11,17H,3-5H2,1-2H3
InChIKeyKOIMPZWWXYOPKC-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.50
Rot. Bonds3

About N-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 104652571) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID104652571
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCC(NC1CCCc2c1cnn2C)c1ccc(Br)o1
InChIInChI=1S/C14H18BrN3O/c1-9(13-6-7-14(15)19-13)17-11-4-3-5-12-10(11)8-16-18(12)2/h6-9,11,17H,3-5H2,1-2H3
InChIKeyKOIMPZWWXYOPKC-UHFFFAOYSA-N
XLogP3.50
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43680101
N-[(5-bromofuran-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727339
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 103777387
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 81377325
4-methyl-2-[1-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]ethyl]phenol
CID 43727389
4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol
CID 61245676
1-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43787461
(2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol
CID 104980497
N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727357
1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 43749196
1-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 79541855
1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43730478

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 104652571) is N-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is CC(NC1CCCc2c1cnn2C)c1ccc(Br)o1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is KOIMPZWWXYOPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-9(13-6-7-14(15)19-13)17-11-4-3-5-12-10(11)8-16-18(12)2/h6-9,11,17H,3-5H2,1-2H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 324.22 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 104652571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).