1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine

C12H14BrN3 — CID 117449532

IUPAC1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc3c(Br)[nH]nc23)CC1
InChIInChI=1S/C12H14BrN3/c1-7(14)12(5-6-12)9-4-2-3-8-10(9)15-16-11(8)13/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeyLRKJNVPNTGDHQE-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.70
Rot. Bonds2

About 1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine

1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine (PubChem CID 117449532) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine
PubChem CID117449532
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc3c(Br)[nH]nc23)CC1
InChIInChI=1S/C12H14BrN3/c1-7(14)12(5-6-12)9-4-2-3-8-10(9)15-16-11(8)13/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeyLRKJNVPNTGDHQE-UHFFFAOYSA-N
XLogP2.70
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine
CID 117388142
1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine
CID 117398469
1-[1-(3-methyl-1-benzofuran-7-yl)cyclopropyl]ethanamine
CID 117307014
1-(3-bromo-2H-indazol-7-yl)-N-methylpropan-2-amine
CID 84729870
1-(7-bromo-2H-indazol-3-yl)ethanamine
CID 83912564
1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117457314
2-(3-bromo-2H-indazol-7-yl)propan-2-ol
CID 84708467
1-[1-(2,2-dimethyl-3H-1-benzofuran-7-yl)cyclopropyl]ethanamine
CID 117335044
1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine
CID 117330234
1-[1-[2-(trifluoromethyl)-1H-indol-4-yl]cyclopropyl]ethanamine
CID 117424154
5-[1-(1-aminoethyl)cyclopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 117332792
2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline
CID 117118396

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine (CID 117449532) is 1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine is CC(N)C1(c2cccc3c(Br)[nH]nc23)CC1.
What is the InChIKey of 1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine?
The InChIKey is LRKJNVPNTGDHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-7(14)12(5-6-12)9-4-2-3-8-10(9)15-16-11(8)13/h2-4,7H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine?
1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromo-2H-indazol-7-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 117449532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).