1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine

C7H12BrN3 — CID 83887911

IUPAC1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine
SMILESCc1c(Br)n[nH]c1CC(C)N
InChIInChI=1S/C7H12BrN3/c1-4(9)3-6-5(2)7(8)11-10-6/h4H,3,9H2,1-2H3,(H,10,11)
InChIKeyZOWABTOFKNREKX-UHFFFAOYSA-N
MW218.10 g/mol
LogP1.37
Rot. Bonds2

About 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine

1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine (PubChem CID 83887911) has the molecular formula C7H12BrN3 and a molecular weight of 218.10 g/mol. Its IUPAC name is 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine
PubChem CID83887911
Molecular FormulaC7H12BrN3
Molecular Weight218.10 g/mol
Exact Mass217.02
IUPAC Name1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine
SMILESCc1c(Br)n[nH]c1CC(C)N
InChIInChI=1S/C7H12BrN3/c1-4(9)3-6-5(2)7(8)11-10-6/h4H,3,9H2,1-2H3,(H,10,11)
InChIKeyZOWABTOFKNREKX-UHFFFAOYSA-N
XLogP1.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine?
The IUPAC name of 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine (CID 83887911) is 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine is Cc1c(Br)n[nH]c1CC(C)N.
What is the InChIKey of 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine?
The InChIKey is ZOWABTOFKNREKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3/c1-4(9)3-6-5(2)7(8)11-10-6/h4H,3,9H2,1-2H3,(H,10,11).
What are the key properties of 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine?
1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine has a molecular weight of 218.10 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methyl-1H-pyrazol-5-yl)propan-2-amine is sourced from PubChem (CID 83887911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).