2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine

C9H16BrN3 — CID 170730315

IUPAC2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine
SMILESCN(C)C(C)(C)c1cc(Br)nn1C
InChIInChI=1S/C9H16BrN3/c1-9(2,12(3)4)7-6-8(10)11-13(7)5/h6H,1-5H3
InChIKeyZVQVSNRMQOSQRE-UHFFFAOYSA-N
MW246.15 g/mol
LogP1.98
Rot. Bonds2

About 2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine

2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine (PubChem CID 170730315) has the molecular formula C9H16BrN3 and a molecular weight of 246.15 g/mol. Its IUPAC name is 2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine
PubChem CID170730315
Molecular FormulaC9H16BrN3
Molecular Weight246.15 g/mol
Exact Mass245.05
IUPAC Name2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine
SMILESCN(C)C(C)(C)c1cc(Br)nn1C
InChIInChI=1S/C9H16BrN3/c1-9(2,12(3)4)7-6-8(10)11-13(7)5/h6H,1-5H3
InChIKeyZVQVSNRMQOSQRE-UHFFFAOYSA-N
XLogP1.98
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine?
The IUPAC name of 2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine (CID 170730315) is 2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine?
The canonical SMILES for 2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine is CN(C)C(C)(C)c1cc(Br)nn1C.
What is the InChIKey of 2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine?
The InChIKey is ZVQVSNRMQOSQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN3/c1-9(2,12(3)4)7-6-8(10)11-13(7)5/h6H,1-5H3.
What are the key properties of 2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine?
2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine has a molecular weight of 246.15 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-methylpyrazol-5-yl)-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 170730315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).