3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine

C7H12BrN3 — CID 7019308

IUPAC3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine
SMILESCc1nn(CCCN)cc1Br
InChIInChI=1S/C7H12BrN3/c1-6-7(8)5-11(10-6)4-2-3-9/h5H,2-4,9H2,1H3
InChIKeyPXLXYGZGMUHEBV-UHFFFAOYSA-N
MW218.10 g/mol
LogP1.30
Rot. Bonds3

About 3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine

3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine (PubChem CID 7019308) has the molecular formula C7H12BrN3 and a molecular weight of 218.10 g/mol. Its IUPAC name is 3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine
PubChem CID7019308
Molecular FormulaC7H12BrN3
Molecular Weight218.10 g/mol
Exact Mass217.02
IUPAC Name3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine
SMILESCc1nn(CCCN)cc1Br
InChIInChI=1S/C7H12BrN3/c1-6-7(8)5-11(10-6)4-2-3-9/h5H,2-4,9H2,1H3
InChIKeyPXLXYGZGMUHEBV-UHFFFAOYSA-N
XLogP1.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine?
The IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine (CID 7019308) is 3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine is Cc1nn(CCCN)cc1Br.
What is the InChIKey of 3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine?
The InChIKey is PXLXYGZGMUHEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3/c1-6-7(8)5-11(10-6)4-2-3-9/h5H,2-4,9H2,1H3.
What are the key properties of 3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine?
3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine has a molecular weight of 218.10 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 7019308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).