3-bromo-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine

C7H10BrN3 — CID 83910021

IUPAC3-bromo-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine
SMILESCNC1CCc2[nH]nc(Br)c21
InChIInChI=1S/C7H10BrN3/c1-9-4-2-3-5-6(4)7(8)11-10-5/h4,9H,2-3H2,1H3,(H,10,11)
InChIKeySWTLHEUWTUJYEA-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.38
Rot. Bonds1

About 3-bromo-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine

3-bromo-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine (PubChem CID 83910021) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is 3-bromo-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine
PubChem CID83910021
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC Name3-bromo-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine
SMILESCNC1CCc2[nH]nc(Br)c21
InChIInChI=1S/C7H10BrN3/c1-9-4-2-3-5-6(4)7(8)11-10-5/h4,9H,2-3H2,1H3,(H,10,11)
InChIKeySWTLHEUWTUJYEA-UHFFFAOYSA-N
XLogP1.38
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine?
The IUPAC name of 3-bromo-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine (CID 83910021) is 3-bromo-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine.
What is the SMILES notation for 3-bromo-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine?
The canonical SMILES for 3-bromo-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine is CNC1CCc2[nH]nc(Br)c21.
What is the InChIKey of 3-bromo-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine?
The InChIKey is SWTLHEUWTUJYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3/c1-9-4-2-3-5-6(4)7(8)11-10-5/h4,9H,2-3H2,1H3,(H,10,11).
What are the key properties of 3-bromo-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine?
3-bromo-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine has a molecular weight of 216.08 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-4-amine is sourced from PubChem (CID 83910021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).