2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine

C9H14BrN3 — CID 83912827

IUPAC2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine
SMILESCn1nc2c(c1Br)C(CCN)CC2
InChIInChI=1S/C9H14BrN3/c1-13-9(10)8-6(4-5-11)2-3-7(8)12-13/h6H,2-5,11H2,1H3
InChIKeyKXVWVEDHCWWDQB-UHFFFAOYSA-N
MW244.14 g/mol
LogP1.56
Rot. Bonds2

About 2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine

2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine (PubChem CID 83912827) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is 2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine
PubChem CID83912827
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine
SMILESCn1nc2c(c1Br)C(CCN)CC2
InChIInChI=1S/C9H14BrN3/c1-13-9(10)8-6(4-5-11)2-3-7(8)12-13/h6H,2-5,11H2,1H3
InChIKeyKXVWVEDHCWWDQB-UHFFFAOYSA-N
XLogP1.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine (CID 83912827) is 2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine is Cn1nc2c(c1Br)C(CCN)CC2.
What is the InChIKey of 2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine?
The InChIKey is KXVWVEDHCWWDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c1-13-9(10)8-6(4-5-11)2-3-7(8)12-13/h6H,2-5,11H2,1H3.
What are the key properties of 2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine?
2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine has a molecular weight of 244.14 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl)ethanamine is sourced from PubChem (CID 83912827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).